[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid

C13H10ClNO4S — CID 18450250

IUPAC[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
SMILESO=C(O)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO4S/c14-9-1-5-11(6-2-9)20(18,19)12-7-3-10(4-8-12)15-13(16)17/h1-8,15H,(H,16,17)
InChIKeyFWPVXRXZINOQEZ-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.26
Rot. Bonds3

About [4-(4-chlorophenyl)sulfonylphenyl]carbamic acid

[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid (PubChem CID 18450250) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylphenyl]carbamic acid.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
PubChem CID18450250
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
SMILESO=C(O)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO4S/c14-9-1-5-11(6-2-9)20(18,19)12-7-3-10(4-8-12)15-13(16)17/h1-8,15H,(H,16,17)
InChIKeyFWPVXRXZINOQEZ-UHFFFAOYSA-N
XLogP3.26
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
CID 87188677
5-(4-chlorophenyl)-N-[4-(4-chlorophenyl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 139582124
N-[4-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]sulfonylphenyl]hydroxylamine
CID 45275969
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 2819847
(Z)-4-[4-[4-[[(E)-3-carboxyprop-2-enoyl]amino]phenyl]sulfonylanilino]-4-oxobut-2-enoic acid
CID 92856125
1-[chloro-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 10688715
2-[[4-(benzenesulfonyl)phenyl]carbamoyl]-3,4,5,6-tetrachlorobenzoic acid
CID 88891408
1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)urea
CID 1011433
6-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 53002958
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylphenyl]carbamic acid?
The IUPAC name of [4-(4-chlorophenyl)sulfonylphenyl]carbamic acid (CID 18450250) is [4-(4-chlorophenyl)sulfonylphenyl]carbamic acid.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylphenyl]carbamic acid?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylphenyl]carbamic acid is O=C(O)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylphenyl]carbamic acid?
The InChIKey is FWPVXRXZINOQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c14-9-1-5-11(6-2-9)20(18,19)12-7-3-10(4-8-12)15-13(16)17/h1-8,15H,(H,16,17).
What are the key properties of [4-(4-chlorophenyl)sulfonylphenyl]carbamic acid?
[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid has a molecular weight of 311.75 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylphenyl]carbamic acid is sourced from PubChem (CID 18450250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).