2-Methoxybenzenesulfonamide - CAS 52960-57-3

Catalog:	BB028004
Product Name:	2-Methoxybenzenesulfonamide
CAS:	52960-57-3
Synonyms:	2-methoxybenzenesulfonamide; 2-methoxybenzenesulfonamide

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Computed Properties

IUPAC Name:	2-methoxybenzenesulfonamide
Description:	2-Methoxybenzenesulfonamide (CAS# 52960-57-3) is a useful research chemical.
Molecular Weight:	187.22
Molecular Formula:	C7H9NO3S
Canonical SMILES:	COC1=CC=CC=C1S(=O)(=O)N
InChI:	InChI=1S/C7H9NO3S/c1-11-6-4-2-3-5-7(6)12(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChI Key:	MKQNYQGIPARLKO-UHFFFAOYSA-N
Boiling Point:	364.5 °C at 760 mmHg
Density:	1.314 g/cm³
MDL:	MFCD06496492
LogP:	2.12370

Publication Number	Title	Priority Date
CN-111362857-A	Compound with indoline skeleton, preparation method and medical application thereof	20200423
WO-2021186855-A1	Method for detecting indicator of t-cell lymphoma and utilization thereof	20200316
WO-2021050702-A1	Kdm inhibitors and uses thereof	20190913
WO-2021051016-A1	Systems and assays for identifying pu.1 inhibitors	20190913
WO-2021043951-A1	Drug antibody conjugates	20190905

PMID	Publication Date	Title	Journal
20030297	20100101	Computational study of the interactions between guanine derivatives and cyclin-dependent kinase 2 (CDK2) by CoMFA and QM/MM	Journal of chemical information and modeling
12576871	20030301	Anoikis induction by quinazoline based alpha 1-adrenoceptor antagonists in prostate cancer cells: antagonistic effect of bcl-2	The Journal of urology
1662507	19911231	The newly synthesized selective Ca2+/calmodulin dependent protein kinase II inhibitor KN-93 reduces dopamine contents in PC12h cells	Biochemical and biophysical research communications

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.03031432
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.03031432
Rotatable Bond Count:	2
Topological Polar Surface Area:	77.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1