N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide

C17H18ClN3O3S — CID 19259468

IUPACN-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H18ClN3O3S/c1-19(11-12-4-6-13(18)7-5-12)25(23,24)14-8-9-15-16(10-14)21(3)17(22)20(15)2/h4-10H,11H2,1-3H3
InChIKeyXCAXQDDPFGFUMX-UHFFFAOYSA-N
MW379.87 g/mol
LogP2.35
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide

N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 19259468) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID19259468
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC NameN-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H18ClN3O3S/c1-19(11-12-4-6-13(18)7-5-12)25(23,24)14-8-9-15-16(10-14)21(3)17(22)20(15)2/h4-10H,11H2,1-3H3
InChIKeyXCAXQDDPFGFUMX-UHFFFAOYSA-N
XLogP2.35
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide
CID 19259603
3-amino-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105923
4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide
CID 55907073
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
N-(3-aminopropyl)-N-benzyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 120664430
4-chloro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 18096934
N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 7937766
N-[(4-methoxyphenyl)methyl]-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 31534187
4-chloro-N-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278707
2-(3-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylanilino)-N,N-dimethylacetamide
CID 19259341
5-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 53000984
methyl 4-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]benzoate
CID 26057385

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide (CID 19259468) is N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide is CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is XCAXQDDPFGFUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-19(11-12-4-6-13(18)7-5-12)25(23,24)14-8-9-15-16(10-14)21(3)17(22)20(15)2/h4-10H,11H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide?
N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 379.87 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N,1,3-trimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 19259468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).