4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide

C15H13ClN4O5S3 — CID 19858130

IUPAC4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide
SMILESCS(=O)(=O)c1ccc2c(c1)[nH]c(=S)n2NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H13ClN4O5S3/c1-27(22,23)9-3-5-12-11(7-9)18-15(26)20(12)19-14(21)8-2-4-10(16)13(6-8)28(17,24)25/h2-7H,1H3,(H,18,26)(H,19,21)(H2,17,24,25)
InChIKeyACBFUURIEDIMNR-UHFFFAOYSA-N
MW460.95 g/mol
LogP1.79
Rot. Bonds4

About 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide

4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide (PubChem CID 19858130) has the molecular formula C15H13ClN4O5S3 and a molecular weight of 460.95 g/mol. Its IUPAC name is 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide
PubChem CID19858130
Molecular FormulaC15H13ClN4O5S3
Molecular Weight460.95 g/mol
Exact Mass459.97
IUPAC Name4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide
SMILESCS(=O)(=O)c1ccc2c(c1)[nH]c(=S)n2NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C15H13ClN4O5S3/c1-27(22,23)9-3-5-12-11(7-9)18-15(26)20(12)19-14(21)8-2-4-10(16)13(6-8)28(17,24)25/h2-7H,1H3,(H,18,26)(H,19,21)(H2,17,24,25)
InChIKeyACBFUURIEDIMNR-UHFFFAOYSA-N
XLogP1.79
TPSA144.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.95
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide 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

CID 19858113
CID 19858113
CID 53876028
CID 53876028
CID 19858134
CID 19858134
CID 19858136
CID 19858136
CID 19858163
CID 19858163
CID 53800412
CID 53800412
CID 145808296
CID 145808296
CID 150642088
CID 150642088
CID 151394499
CID 151394499
CID 49368635
CID 49368635
CID 52100409
CID 52100409

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide?
The IUPAC name of 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide (CID 19858130) is 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide is CS(=O)(=O)c1ccc2c(c1)[nH]c(=S)n2NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide?
The InChIKey is ACBFUURIEDIMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O5S3/c1-27(22,23)9-3-5-12-11(7-9)18-15(26)20(12)19-14(21)8-2-4-10(16)13(6-8)28(17,24)25/h2-7H,1H3,(H,18,26)(H,19,21)(H2,17,24,25).
What are the key properties of 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide?
4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide has a molecular weight of 460.95 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methylsulfonyl-2-sulfanylidene-3H-benzimidazol-1-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 19858130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).