4-Ethylbenzenesulfonamide - CAS 138-38-5

Catalog:	BB008745
Product Name:	4-Ethylbenzenesulfonamide
CAS:	138-38-5
Synonyms:	4-ethylbenzenesulfonamide; 4-ethylbenzenesulfonamide

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Computed Properties

IUPAC Name:	4-ethylbenzenesulfonamide
Description:	4-Ethylbenzenesulfonamide (CAS# 138-38-5) is a useful research chemical.
Molecular Weight:	185.24
Molecular Formula:	C8H11NO2S
Canonical SMILES:	CCC1=CC=C(C=C1)S(=O)(=O)N
InChI:	InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChI Key:	MLTGAVXHWSDGIS-UHFFFAOYSA-N
Boiling Point:	63 °C
Density:	0.7227 g/cm³
Appearance:	White to off- white powder to crystal
Storage:	Sealed in dry, Room Temperature
LogP:	2.67750

Publication Number	Title	Priority Date
CN-111663125-A	Chemical palladium plating solution and preparation method and application thereof	20200728
CN-111362857-A	Compound with indoline skeleton, preparation method and medical application thereof	20200423
KR-102285322-B1	Biocompatible microsoft bellow actuator and manufacturing method thereof	20200123
KR-20210095399-A	Biocompatible microsoft bellow actuator and manufacturing method thereof	20200123
WO-2021061803-A1	Phosphodiesterase inhibitors and use	20190923

PMID	Publication Date	Title	Journal
21130650	20110101	Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II)	Bioorganic & medicinal chemistry letters
20443227	20100515	3D-QSAR study of benzene sulfonamide analogs as carbonic anhydrase II inhibitors	Bioorganic & medicinal chemistry letters
15686888	20050215	QSAR studies on benzene sulfonamide carbonic anhydrase inhibitors: need of hydrophobic parameter for topological modeling of binding constants of sulfonamides to human CA-II	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.05104977
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.05104977
Rotatable Bond Count:	2
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3