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

C17H19N3O3S — CID 6461720

IUPAC4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H19N3O3S/c1-11(2)9-12-3-6-14(7-4-12)24(22,23)20-13-5-8-15-16(10-13)19-17(21)18-15/h3-8,10-11,20H,9H2,1-2H3,(H2,18,19,21)
InChIKeyYWXZBLBFABJQIB-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.86
Rot. Bonds5

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

4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 6461720) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID6461720
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H19N3O3S/c1-11(2)9-12-3-6-14(7-4-12)24(22,23)20-13-5-8-15-16(10-13)19-17(21)18-15/h3-8,10-11,20H,9H2,1-2H3,(H2,18,19,21)
InChIKeyYWXZBLBFABJQIB-UHFFFAOYSA-N
XLogP2.86
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 6461720) is 4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is YWXZBLBFABJQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(2)9-12-3-6-14(7-4-12)24(22,23)20-13-5-8-15-16(10-13)19-17(21)18-15/h3-8,10-11,20H,9H2,1-2H3,(H2,18,19,21).
What are the key properties of 4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 6461720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).