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

C14H12ClN3O3S — CID 110721833

IUPAC4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C14H12ClN3O3S/c1-18-13-7-4-10(8-12(13)16-14(18)19)17-22(20,21)11-5-2-9(15)3-6-11/h2-8,17H,1H3,(H,16,19)
InChIKeyAVPJORLBWBPJKC-UHFFFAOYSA-N
MW337.79 g/mol
LogP2.32
Rot. Bonds3

About 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide

4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 110721833) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID110721833
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC Name4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C14H12ClN3O3S/c1-18-13-7-4-10(8-12(13)16-14(18)19)17-22(20,21)11-5-2-9(15)3-6-11/h2-8,17H,1H3,(H,16,19)
InChIKeyAVPJORLBWBPJKC-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

3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721894
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721732
4-fluoro-2-methyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721851
2-methoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 71291563
2-cyano-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721904
5-ethyl-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)thiophene-2-sulfonamide
CID 110721865
2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
CID 110721724
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
4-chloro-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17218638
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-chloro-N-(1,4-dimethyl-2-oxo-3,4-dihydroquinolin-6-yl)benzenesulfonamide
CID 166375464

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide (CID 110721833) is 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide is Cn1c(=O)[nH]c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is AVPJORLBWBPJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c1-18-13-7-4-10(8-12(13)16-14(18)19)17-22(20,21)11-5-2-9(15)3-6-11/h2-8,17H,1H3,(H,16,19).
What are the key properties of 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide?
4-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 4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110721833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).