[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride

C13H12ClNO4S — CID 140973464

IUPAC[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride
SMILESCl.O=C(O)Nc1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11NO4S.ClH/c15-13(16)14-11-8-4-5-9-12(11)19(17,18)10-6-2-1-3-7-10;/h1-9,14H,(H,15,16);1H
InChIKeyVGZWFWGUQRCFDL-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.03
Rot. Bonds3

About [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride

[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride (PubChem CID 140973464) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride.

Molecular Properties

Compound Name[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride
PubChem CID140973464
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Name[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride
SMILESCl.O=C(O)Nc1ccccc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H11NO4S.ClH/c15-13(16)14-11-8-4-5-9-12(11)19(17,18)10-6-2-1-3-7-10;/h1-9,14H,(H,15,16);1H
InChIKeyVGZWFWGUQRCFDL-UHFFFAOYSA-N
XLogP3.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-methylpyrazin-2-yl)sulfonylphenyl]carbamic acid
CID 70445513
1,2-bis(benzenesulfonyl)benzene
CID 19980733
N-[2-(benzenesulfonyl)phenyl]quinoline-5-carboxamide
CID 142723873
(4-methylphenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20850942
1-(benzenesulfonyl)-2-[2-(benzenesulfonyl)phenyl]benzene
CID 19980732
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
benzenesulfonylbenzene;oxalic acid
CID 67897674
(2-isocyanatophenyl)carbamic acid;hydrochloride
CID 88747466
(2-bromophenyl)carbamic acid
CID 15021878
1,1-diphenyl-3-(2-sulfamoylphenyl)urea
CID 3622343
2-(4-methylphenyl)sulfonylbenzoic acid
CID 71025633
methyl (2S)-2-[[2-(benzenesulfonyl)phenyl]carbamoylamino]-3-(4-nitrophenyl)propanoate
CID 69377021

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride?
The IUPAC name of [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride (CID 140973464) is [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride.
What is the SMILES notation for [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride?
The canonical SMILES for [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride is Cl.O=C(O)Nc1ccccc1S(=O)(=O)c1ccccc1.
What is the InChIKey of [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride?
The InChIKey is VGZWFWGUQRCFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S.ClH/c15-13(16)14-11-8-4-5-9-12(11)19(17,18)10-6-2-1-3-7-10;/h1-9,14H,(H,15,16);1H.
What are the key properties of [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride?
[2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride has a molecular weight of 313.76 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonyl)phenyl]carbamic acid;hydrochloride is sourced from PubChem (CID 140973464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).