N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide

C23H24N4O4S — CID 15990163

IUPACN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H24N4O4S/c1-26-21-13-19(24-15-16-7-5-4-6-8-16)20(14-22(21)27(2)23(26)28)25-32(29,30)18-11-9-17(31-3)10-12-18/h4-14,24-25H,15H2,1-3H3
InChIKeyKBCMVZKQIWGJPL-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.30
Rot. Bonds7

About N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide

N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide (PubChem CID 15990163) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide
PubChem CID15990163
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C23H24N4O4S/c1-26-21-13-19(24-15-16-7-5-4-6-8-16)20(14-22(21)27(2)23(26)28)25-32(29,30)18-11-9-17(31-3)10-12-18/h4-14,24-25H,15H2,1-3H3
InChIKeyKBCMVZKQIWGJPL-UHFFFAOYSA-N
XLogP3.30
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide (CID 15990163) is N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc3c(cc2NCc2ccccc2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide?
The InChIKey is KBCMVZKQIWGJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-26-21-13-19(24-15-16-7-5-4-6-8-16)20(14-22(21)27(2)23(26)28)25-32(29,30)18-11-9-17(31-3)10-12-18/h4-14,24-25H,15H2,1-3H3.
What are the key properties of N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide?
N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 15990163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).