3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide

C16H16ClN3O2S — CID 110869450

IUPAC3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1nc2ccc(N(C)S(=O)(=O)c3ccc(C)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C16H16ClN3O2S/c1-10-4-6-13(9-14(10)17)23(21,22)20(3)12-5-7-15-16(8-12)19-11(2)18-15/h4-9H,1-3H3,(H,18,19)
InChIKeyATENMGQHJKVMMO-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.66
Rot. Bonds3

About 3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide

3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 110869450) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID110869450
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1nc2ccc(N(C)S(=O)(=O)c3ccc(C)c(Cl)c3)cc2[nH]1
InChIInChI=1S/C16H16ClN3O2S/c1-10-4-6-13(9-14(10)17)23(21,22)20(3)12-5-7-15-16(8-12)19-11(2)18-15/h4-9H,1-3H3,(H,18,19)
InChIKeyATENMGQHJKVMMO-UHFFFAOYSA-N
XLogP3.66
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
CID 110869456
4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110869442
N-(3H-benzimidazol-5-yl)-N,3,4-trimethylbenzenesulfonamide
CID 110869230
N-(3-chloro-4-methylphenyl)-N-methyl-3-nitrobenzenesulfonamide
CID 99841938
N-(3-chloro-4-methylphenyl)-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 100538866
N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760103
N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 43344069
2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol
CID 116852802
2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
CID 115141265
N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine
CID 82493713
N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760105
N-benzyl-2-methyl-N-propan-2-yl-3H-benzimidazole-5-sulfonamide
CID 110760148

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide (CID 110869450) is 3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide is Cc1nc2ccc(N(C)S(=O)(=O)c3ccc(C)c(Cl)c3)cc2[nH]1.
What is the InChIKey of 3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is ATENMGQHJKVMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c1-10-4-6-13(9-14(10)17)23(21,22)20(3)12-5-7-15-16(8-12)19-11(2)18-15/h4-9H,1-3H3,(H,18,19).
What are the key properties of 3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 349.84 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,4-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110869450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).