4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

C19H23N3O3S — CID 1251510

IUPAC4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C19H23N3O3S/c1-19(2,3)13-6-9-15(10-7-13)26(24,25)20-14-8-11-16-17(12-14)22(5)18(23)21(16)4/h6-12,20H,1-5H3
InChIKeyRYTIJJCFPOUMGP-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.98
Rot. Bonds3

About 4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide

4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 1251510) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
PubChem CID1251510
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21
InChIInChI=1S/C19H23N3O3S/c1-19(2,3)13-6-9-15(10-7-13)26(24,25)20-14-8-11-16-17(12-14)22(5)18(23)21(16)4/h6-12,20H,1-5H3
InChIKeyRYTIJJCFPOUMGP-UHFFFAOYSA-N
XLogP2.98
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide (CID 1251510) is 4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21.
What is the InChIKey of 4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is RYTIJJCFPOUMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-19(2,3)13-6-9-15(10-7-13)26(24,25)20-14-8-11-16-17(12-14)22(5)18(23)21(16)4/h6-12,20H,1-5H3.
What are the key properties of 4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 1251510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).