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

C16H17N3O2S — CID 142887451

IUPAC2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3cccc(C)c3C)cc2[nH]1
InChIInChI=1S/C16H17N3O2S/c1-10-5-4-6-16(11(10)2)22(20,21)19-13-7-8-14-15(9-13)18-12(3)17-14/h4-9,19H,1-3H3,(H,17,18)
InChIKeyGBCMJDCWQVKBGU-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.29
Rot. Bonds3

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

2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 142887451) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID142887451
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)c3cccc(C)c3C)cc2[nH]1
InChIInChI=1S/C16H17N3O2S/c1-10-5-4-6-16(11(10)2)22(20,21)19-13-7-8-14-15(9-13)18-12(3)17-14/h4-9,19H,1-3H3,(H,17,18)
InChIKeyGBCMJDCWQVKBGU-UHFFFAOYSA-N
XLogP3.29
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 61274454
2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
CID 61053137
1-bromo-N-(2-methyl-3H-benzimidazol-5-yl)methanesulfonamide
CID 83084672
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110724276
2-fluoro-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 126787950
N-[3-chloro-4-(2-methyl-3H-benzimidazol-5-yl)phenyl]-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 166464103
N-(2,3-dimethylquinoxalin-6-yl)-2-methylbenzenesulfonamide
CID 110723878

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide (CID 142887451) is 2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide is Cc1nc2ccc(NS(=O)(=O)c3cccc(C)c3C)cc2[nH]1.
What is the InChIKey of 2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is GBCMJDCWQVKBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-5-4-6-16(11(10)2)22(20,21)19-13-7-8-14-15(9-13)18-12(3)17-14/h4-9,19H,1-3H3,(H,17,18).
What are the key properties of 2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 142887451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).