2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C13H10ClN3O3S — CID 50796598

IUPAC2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C13H10ClN3O3S/c14-9-3-1-2-4-12(9)21(19,20)17-8-5-6-10-11(7-8)16-13(18)15-10/h1-7,17H,(H2,15,16,18)
InChIKeyAJAAPJDXUPMUOS-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.31
Rot. Bonds3

About 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 50796598) has the molecular formula C13H10ClN3O3S and a molecular weight of 323.76 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID50796598
Molecular FormulaC13H10ClN3O3S
Molecular Weight323.76 g/mol
Exact Mass323.01
IUPAC Name2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C13H10ClN3O3S/c14-9-3-1-2-4-12(9)21(19,20)17-8-5-6-10-11(7-8)16-13(18)15-10/h1-7,17H,(H2,15,16,18)
InChIKeyAJAAPJDXUPMUOS-UHFFFAOYSA-N
XLogP2.31
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-sulfonamide
CID 3659033
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
2,4-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 50796931
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
6-chloro-N-(3-fluoro-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092136
2-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 70953981
6-chloro-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 53092160
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 24507059
2-chloro-N-(4-phenoxyphenyl)benzenesulfonamide
CID 113098760
2-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 63928946
N-[3-(aminomethyl)phenyl]-2-chlorobenzenesulfonamide
CID 63254779
2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 50796598) is 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2[nH]1.
What is the InChIKey of 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is AJAAPJDXUPMUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3S/c14-9-3-1-2-4-12(9)21(19,20)17-8-5-6-10-11(7-8)16-13(18)15-10/h1-7,17H,(H2,15,16,18).
What are the key properties of 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 323.76 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50796598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).