[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid

C13H10ClNO4S — CID 87188677

IUPAC[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO4S/c14-20(18,19)12-7-3-10(4-8-12)9-1-5-11(6-2-9)15-13(16)17/h1-8,15H,(H,16,17)
InChIKeyQYPVAKKFLXDIBP-UHFFFAOYSA-N
MW311.75 g/mol
LogP3.37
Rot. Bonds3

About [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid

[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid (PubChem CID 87188677) has the molecular formula C13H10ClNO4S and a molecular weight of 311.75 g/mol. Its IUPAC name is [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
PubChem CID87188677
Molecular FormulaC13H10ClNO4S
Molecular Weight311.75 g/mol
Exact Mass311.00
IUPAC Name[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C13H10ClNO4S/c14-20(18,19)12-7-3-10(4-8-12)9-1-5-11(6-2-9)15-13(16)17/h1-8,15H,(H,16,17)
InChIKeyQYPVAKKFLXDIBP-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid 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

[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
CID 18450250
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
CID 13467302
4-(cyclopropanecarbonylamino)benzenesulfonyl chloride
CID 16774559
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
4-[(4-acetylphenyl)carbamoylamino]benzenesulfonyl chloride
CID 2756280
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844
4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride
CID 114032743
4-[(3-chloro-4-methylbenzoyl)amino]benzenesulfonyl chloride
CID 63195185
4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216096
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
4-acetamidobenzenesulfonic acid;4-acetamidobenzenesulfonyl chloride;acetic acid;acetyl chloride;4-aminobenzenesulfonic acid
CID 157299743

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid?
The IUPAC name of [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid (CID 87188677) is [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid.
What is the SMILES notation for [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid?
The canonical SMILES for [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid is O=C(O)Nc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)cc1.
What is the InChIKey of [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid?
The InChIKey is QYPVAKKFLXDIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4S/c14-20(18,19)12-7-3-10(4-8-12)9-1-5-11(6-2-9)15-13(16)17/h1-8,15H,(H,16,17).
What are the key properties of [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid?
[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid has a molecular weight of 311.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorosulfonylphenyl)phenyl]carbamic acid is sourced from PubChem (CID 87188677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).