4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C17H19N3O3S — CID 1352610

IUPAC4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H19N3O3S/c1-17(2,3)11-4-7-13(8-5-11)24(22,23)20-12-6-9-14-15(10-12)19-16(21)18-14/h4-10,20H,1-3H3,(H2,18,19,21)
InChIKeyWLOFIQRNFRZGLU-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.95
Rot. Bonds3

About 4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 1352610) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID1352610
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H19N3O3S/c1-17(2,3)11-4-7-13(8-5-11)24(22,23)20-12-6-9-14-15(10-12)19-16(21)18-14/h4-10,20H,1-3H3,(H2,18,19,21)
InChIKeyWLOFIQRNFRZGLU-UHFFFAOYSA-N
XLogP2.95
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 1352610) is 4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is WLOFIQRNFRZGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-17(2,3)11-4-7-13(8-5-11)24(22,23)20-12-6-9-14-15(10-12)19-16(21)18-14/h4-10,20H,1-3H3,(H2,18,19,21).
What are the key properties of 4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 1352610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).