1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide

C16H12Cl2N2O4S2 — CID 17247618

IUPAC1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H12Cl2N2O4S2/c17-15-7-6-12(10-16(15)18)19-25(21,22)14-8-9-20(11-14)26(23,24)13-4-2-1-3-5-13/h1-11,19H
InChIKeyHTPUCRWGVJKPNK-UHFFFAOYSA-N
MW431.32 g/mol
LogP3.83
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide

1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide (PubChem CID 17247618) has the molecular formula C16H12Cl2N2O4S2 and a molecular weight of 431.32 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide
PubChem CID17247618
Molecular FormulaC16H12Cl2N2O4S2
Molecular Weight431.32 g/mol
Exact Mass429.96
IUPAC Name1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H12Cl2N2O4S2/c17-15-7-6-12(10-16(15)18)19-25(21,22)14-8-9-20(11-14)26(23,24)13-4-2-1-3-5-13/h1-11,19H
InChIKeyHTPUCRWGVJKPNK-UHFFFAOYSA-N
XLogP3.83
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide 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

1-(benzenesulfonyl)-N-(3-bromophenyl)pyrrole-3-sulfonamide
CID 17247609
1-(benzenesulfonyl)-N-(4-ethylphenyl)pyrrole-3-sulfonamide
CID 17247601
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
1-[1-(benzenesulfonyl)pyrrol-3-yl]sulfonylpiperidine
CID 17247641
3,4-dichloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 21210578
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
N-(4-anilino-3-chlorophenyl)benzenesulfonamide
CID 14669536
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774
1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 70667544
N-(3,4-dichlorophenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657146

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide (CID 17247618) is 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide is O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccn(S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide?
The InChIKey is HTPUCRWGVJKPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4S2/c17-15-7-6-12(10-16(15)18)19-25(21,22)14-8-9-20(11-14)26(23,24)13-4-2-1-3-5-13/h1-11,19H.
What are the key properties of 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide?
1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide has a molecular weight of 431.32 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3,4-dichlorophenyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 17247618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).