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

C19H21N3O3S — CID 1251444

IUPAC4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2[nH]1
InChIInChI=1S/C19H21N3O3S/c23-19-20-17-11-8-15(12-18(17)21-19)22-26(24,25)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13,22H,1-5H2,(H2,20,21,23)
InChIKeyTXCUEMQXTKRDHU-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.70
Rot. Bonds4

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

4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 1251444) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID1251444
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2[nH]1
InChIInChI=1S/C19H21N3O3S/c23-19-20-17-11-8-15(12-18(17)21-19)22-26(24,25)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13,22H,1-5H2,(H2,20,21,23)
InChIKeyTXCUEMQXTKRDHU-UHFFFAOYSA-N
XLogP3.70
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 1251444) is 4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2[nH]1.
What is the InChIKey of 4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is TXCUEMQXTKRDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-19-20-17-11-8-15(12-18(17)21-19)22-26(24,25)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h6-13,22H,1-5H2,(H2,20,21,23).
What are the key properties of 4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 1251444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).