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N-tert-Butyl 5-Chloro-2-thiophenesulfonamide

N-tert-Butyl 5-Chloro-2-thiophenesulfonamide - CAS 155731-14-9

Catalog:	BB011147
Product Name:	N-tert-Butyl 5-Chloro-2-thiophenesulfonamide
CAS:	155731-14-9
Synonyms:	N-tert-butyl-5-chloro-2-thiophenesulfonamide; N-tert-butyl-5-chlorothiophene-2-sulfonamide

Technical Data

Patents

Computed Properties

IUPAC Name:	N-tert-butyl-5-chlorothiophene-2-sulfonamide
Description:	N-tert-Butyl 5-Chloro-2-thiophenesulfonamide (CAS# 155731-14-9) is a useful research chemical.
Molecular Weight:	253.77
Molecular Formula:	C8H12ClNO2S2
Canonical SMILES:	CC(C)(C)NS(=O)(=O)C1=CC=C(S1)Cl
InChI:	InChI=1S/C8H12ClNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3
InChI Key:	VPZSRWXWBIVADA-UHFFFAOYSA-N
Boiling Point:	349.1 °C at 760 mmHg
Density:	1.328 g/cm³
MDL:	MFCD05086586
LogP:	3.95000

Publication Number	Title	Priority Date
WO-2020102576-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
TW-202033504-A	Compounds and compositions for treating conditions associated with nlrp activity	20181116
EP-3880659-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181116
WO-2020102096-A1	Compounds and compositions for treating conditions associated with nlrp activity	20181113
TW-202031647-A	Compounds and compositions for treating conditions associated with nlrp activity	20181113

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[87-88-7]
Chloranilic acid
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[832741-29-4]
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[956439-56-8]
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Complexity:	291
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.9997987
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.9997987
Rotatable Bond Count:	3
Topological Polar Surface Area:	82.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8