N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide

C17H19N3O4S — CID 53092083

IUPACN-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H19N3O4S/c1-11-9-14-15(20(3)17(21)19(14)2)10-16(11)25(22,23)18-12-5-7-13(24-4)8-6-12/h5-10,18H,1-4H3
InChIKeyBTBYEFNRYBBLES-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.99
Rot. Bonds4

About N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide

N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 53092083) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID53092083
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1
InChIInChI=1S/C17H19N3O4S/c1-11-9-14-15(20(3)17(21)19(14)2)10-16(11)25(22,23)18-12-5-7-13(24-4)8-6-12/h5-10,18H,1-4H3
InChIKeyBTBYEFNRYBBLES-UHFFFAOYSA-N
XLogP1.99
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-1,4,7-trimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20914056
5-amino-4-bromo-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 114624857
1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 53092106
N-(4-methoxyphenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758941
N-(4-methoxyphenyl)-1,4,6-trimethylpyridin-1-ium-3-sulfonamide
CID 102506391
1-amino-N-(4-methoxyphenyl)-4,6-dimethylpyridin-1-ium-3-sulfonamide
CID 102506396
methyl 4-[(4-methoxyphenyl)sulfamoyl]-1,5-dimethylpyrrole-2-carboxylate
CID 53069006
2,5-dimethoxy-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 22433922
N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 50796572
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25046641
5-(aminomethyl)-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 28717561
4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
CID 35397514

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide (CID 53092083) is N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is BTBYEFNRYBBLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11-9-14-15(20(3)17(21)19(14)2)10-16(11)25(22,23)18-12-5-7-13(24-4)8-6-12/h5-10,18H,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 361.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,3,6-trimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 53092083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).