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

C14H12ClN3O4S — CID 3163501

IUPAC5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H12ClN3O4S/c1-22-12-5-2-8(15)6-13(12)23(20,21)18-9-3-4-10-11(7-9)17-14(19)16-10/h2-7,18H,1H3,(H2,16,17,19)
InChIKeyYHFLKSBFZCTIOO-UHFFFAOYSA-N
MW353.79 g/mol
LogP2.32
Rot. Bonds4

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

5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 3163501) has the molecular formula C14H12ClN3O4S and a molecular weight of 353.79 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID3163501
Molecular FormulaC14H12ClN3O4S
Molecular Weight353.79 g/mol
Exact Mass353.02
IUPAC Name5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H12ClN3O4S/c1-22-12-5-2-8(15)6-13(12)23(20,21)18-9-3-4-10-11(7-9)17-14(19)16-10/h2-7,18H,1H3,(H2,16,17,19)
InChIKeyYHFLKSBFZCTIOO-UHFFFAOYSA-N
XLogP2.32
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.79
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 1250430
2,5-dimethoxy-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzenesulfonamide
CID 15990073
5-chloro-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-methoxybenzenesulfonamide
CID 15990071
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 15990089
5-chloro-3-[3-(trifluoromethoxy)phenyl]sulfonyl-1H-benzimidazol-2-one
CID 46232783
5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one
CID 46232825
2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 118706817
2-methoxy-N-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzenesulfonamide
CID 168283117
1-(5-Chloro-2-ethoxyphenyl)sulfonyl-3-phenylurea
CID 118729548
1-(5-Chloro-2-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)urea
CID 118729556
1-(5-Chloro-2-methoxyphenyl)sulfonyl-3-phenylurea
CID 118729557
N-(4-{[(5-chloro-2-methoxyphenyl)sulfonyl]amino}phenyl)acetamide
CID 1125107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 3163501) is 5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is YHFLKSBFZCTIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O4S/c1-22-12-5-2-8(15)6-13(12)23(20,21)18-9-3-4-10-11(7-9)17-14(19)16-10/h2-7,18H,1H3,(H2,16,17,19).
What are the key properties of 5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 353.79 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 3163501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).