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

C17H19N3O3S — CID 110869442

IUPAC4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc3nc(C)[nH]c3c2)c(C)c1
InChIInChI=1S/C17H19N3O3S/c1-11-9-14(23-4)6-8-17(11)24(21,22)20(3)13-5-7-15-16(10-13)19-12(2)18-15/h5-10H,1-4H3,(H,18,19)
InChIKeyWJLNVFONGFCMJH-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.01
Rot. Bonds4

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

4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide (PubChem CID 110869442) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
PubChem CID110869442
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc3nc(C)[nH]c3c2)c(C)c1
InChIInChI=1S/C17H19N3O3S/c1-11-9-14(23-4)6-8-17(11)24(21,22)20(3)13-5-7-15-16(10-13)19-12(2)18-15/h5-10H,1-4H3,(H,18,19)
InChIKeyWJLNVFONGFCMJH-UHFFFAOYSA-N
XLogP3.01
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide (CID 110869442) is 4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)c2ccc3nc(C)[nH]c3c2)c(C)c1.
What is the InChIKey of 4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
The InChIKey is WJLNVFONGFCMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-9-14(23-4)6-8-17(11)24(21,22)20(3)13-5-7-15-16(10-13)19-12(2)18-15/h5-10H,1-4H3,(H,18,19).
What are the key properties of 4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide?
4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 110869442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).