3-[(N,N-Dimethylsulfamoyl)amino]phenylboronic Acid - CAS 277295-50-8

Name: 3-[(N,N-Dimethylsulfamoyl)amino]phenylboronic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019657
Product Name:	3-[(N,N-Dimethylsulfamoyl)amino]phenylboronic Acid
CAS:	277295-50-8
Synonyms:	[3-(dimethylsulfamoylamino)phenyl]boronic acid; [3-(dimethylsulfamoylamino)phenyl]boronic acid

Technical Data

IUPAC Name:	[3-(dimethylsulfamoylamino)phenyl]boronic acid
Description:	3-[(N,N-Dimethylsulfamoyl)amino]phenylboronic Acid (CAS# 277295-50-8) is a useful research chemical.
Molecular Weight:	244.08
Molecular Formula:	C8H13N2O4SB
Canonical SMILES:	B(C1=CC(=CC=C1)NS(=O)(=O)N(C)C)(O)O
InChI:	InChI=1S/C8H13BN2O4S/c1-11(2)16(14,15)10-8-5-3-4-7(6-8)9(12)13/h3-6,10,12-13H,1-2H3
InChI Key:	UHPQMFBFPJCLDX-UHFFFAOYSA-N
Boiling Point:	438.5 °C at 760 mmHg
Density:	1.4 g/cm³
MDL:	MFCD08235107
LogP:	-0.26150

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P316, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2018243298-A1	Trpv3 modulators	20150402
WO-2016160938-A1	N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamides as trpv3 modulators	20150402
US-2013267521-A1	Heterocyclic compounds and uses thereof	20120410
WO-2013154878-A1	Heterocyclic compounds and uses thereof	20120410
EP-2822931-A1	Triazolone compounds and uses thereof	20120309

Complexity:	315
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.0689082
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	244.0689082
Rotatable Bond Count:	4
Topological Polar Surface Area:	98.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0