4-[(3-chlorophenyl)sulfonylamino]butanoic acid

C10H12ClNO4S — CID 28829036

IUPAC4-[(3-chlorophenyl)sulfonylamino]butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO4S/c11-8-3-1-4-9(7-8)17(15,16)12-6-2-5-10(13)14/h1,3-4,7,12H,2,5-6H2,(H,13,14)
InChIKeyAVIGDMNDXIQXSV-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.48
Rot. Bonds6

About 4-[(3-chlorophenyl)sulfonylamino]butanoic acid

4-[(3-chlorophenyl)sulfonylamino]butanoic acid (PubChem CID 28829036) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[(3-chlorophenyl)sulfonylamino]butanoic acid
PubChem CID28829036
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Name4-[(3-chlorophenyl)sulfonylamino]butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO4S/c11-8-3-1-4-9(7-8)17(15,16)12-6-2-5-10(13)14/h1,3-4,7,12H,2,5-6H2,(H,13,14)
InChIKeyAVIGDMNDXIQXSV-UHFFFAOYSA-N
XLogP1.48
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(3-chlorophenyl)sulfonylamino]butanoic 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

5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
CID 68502210
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
6-[(3,4-difluorophenyl)sulfonylamino]hexanoic acid
CID 3612894
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
4-[(4-chloro-2-methylphenyl)sulfonylamino]butanoic acid
CID 43361160

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[(3-chlorophenyl)sulfonylamino]butanoic acid (CID 28829036) is 4-[(3-chlorophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[(3-chlorophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[(3-chlorophenyl)sulfonylamino]butanoic acid is O=C(O)CCCNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)sulfonylamino]butanoic acid?
The InChIKey is AVIGDMNDXIQXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c11-8-3-1-4-9(7-8)17(15,16)12-6-2-5-10(13)14/h1,3-4,7,12H,2,5-6H2,(H,13,14).
What are the key properties of 4-[(3-chlorophenyl)sulfonylamino]butanoic acid?
4-[(3-chlorophenyl)sulfonylamino]butanoic acid has a molecular weight of 277.73 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 28829036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).