1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide

C19H13ClN2O3S2 — CID 19164356

IUPAC1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2sc3ccc4ccccc4c3c2Cl)cc1
InChIInChI=1S/C19H13ClN2O3S2/c20-17-16-14-4-2-1-3-11(14)5-10-15(16)26-18(17)19(23)22-12-6-8-13(9-7-12)27(21,24)25/h1-10H,(H,22,23)(H2,21,24,25)
InChIKeyGPAFHAWORBKESJ-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.61
Rot. Bonds3

About 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide

1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide (PubChem CID 19164356) has the molecular formula C19H13ClN2O3S2 and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide.

Molecular Properties

Compound Name1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide
PubChem CID19164356
Molecular FormulaC19H13ClN2O3S2
Molecular Weight416.91 g/mol
Exact Mass416.01
IUPAC Name1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2sc3ccc4ccccc4c3c2Cl)cc1
InChIInChI=1S/C19H13ClN2O3S2/c20-17-16-14-4-2-1-3-11(14)5-10-15(16)26-18(17)19(23)22-12-6-8-13(9-7-12)27(21,24)25/h1-10H,(H,22,23)(H2,21,24,25)
InChIKeyGPAFHAWORBKESJ-UHFFFAOYSA-N
XLogP4.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide 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-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]benzo[e][1]benzothiole-2-carboxamide
CID 17109024
1-chloro-N-(4-phenoxyphenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164342
butyl 4-[(1-chlorobenzo[e][1]benzothiole-2-carbonyl)amino]benzoate
CID 19164365
1-chloro-N-(2,3-dichlorophenyl)benzo[e][1]benzothiole-2-carboxamide
CID 19164355
3-chloro-N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 51319186
3-chloro-4-methyl-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987140
3-chloro-4-fluoro-N-phenanthren-3-yl-1-benzothiophene-2-carboxamide
CID 171987142
3-chloro-N-[4-(prop-2-enylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3160838
1-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]benzo[e][1]benzothiole-2-carboxamide
CID 19164339
3-chloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55428790
3-chloro-N-[4-(cyclohexylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1015028
3-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 3312445

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide?
The IUPAC name of 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide (CID 19164356) is 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide.
What is the SMILES notation for 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide?
The canonical SMILES for 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2sc3ccc4ccccc4c3c2Cl)cc1.
What is the InChIKey of 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide?
The InChIKey is GPAFHAWORBKESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S2/c20-17-16-14-4-2-1-3-11(14)5-10-15(16)26-18(17)19(23)22-12-6-8-13(9-7-12)27(21,24)25/h1-10H,(H,22,23)(H2,21,24,25).
What are the key properties of 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide?
1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide has a molecular weight of 416.91 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(4-sulfamoylphenyl)benzo[e][1]benzothiole-2-carboxamide is sourced from PubChem (CID 19164356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).