3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide

C14H12ClN3O3S — CID 110721894

IUPAC3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C14H12ClN3O3S/c1-18-13-6-5-10(8-12(13)16-14(18)19)17-22(20,21)11-4-2-3-9(15)7-11/h2-8,17H,1H3,(H,16,19)
InChIKeyLXLSMQBMEJYNNN-UHFFFAOYSA-N
MW337.79 g/mol
LogP2.32
Rot. Bonds3

About 3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide

3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 110721894) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is 3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID110721894
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC Name3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21
InChIInChI=1S/C14H12ClN3O3S/c1-18-13-6-5-10(8-12(13)16-14(18)19)17-22(20,21)11-4-2-3-9(15)7-11/h2-8,17H,1H3,(H,16,19)
InChIKeyLXLSMQBMEJYNNN-UHFFFAOYSA-N
XLogP2.32
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721833
2-methoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 71291563
N-[3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713122
2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721904
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721851
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
CID 110721865
3-chloro-N-(2-oxo-3-propyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346447
3-chloro-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40888970
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
3-chloro-N-(4-ethyl-3-methylphenyl)benzenesulfonamide
CID 71013468

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide (CID 110721894) is 3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide is Cn1c(=O)[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc21.
What is the InChIKey of 3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is LXLSMQBMEJYNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c1-18-13-6-5-10(8-12(13)16-14(18)19)17-22(20,21)11-4-2-3-9(15)7-11/h2-8,17H,1H3,(H,16,19).
What are the key properties of 3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 337.79 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110721894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).