N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C13H17N3O3S — CID 2956642

IUPACN-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCCCC3)cc2[nH]1
InChIInChI=1S/C13H17N3O3S/c17-13-14-11-7-6-10(8-12(11)15-13)20(18,19)16-9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H2,14,15,17)
InChIKeyYZBZAQVYPXQHNF-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.47
Rot. Bonds3

About N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 2956642) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID2956642
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCCCC3)cc2[nH]1
InChIInChI=1S/C13H17N3O3S/c17-13-14-11-7-6-10(8-12(11)15-13)20(18,19)16-9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H2,14,15,17)
InChIKeyYZBZAQVYPXQHNF-UHFFFAOYSA-N
XLogP1.47
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 2956642) is N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NC3CCCCC3)cc2[nH]1.
What is the InChIKey of N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is YZBZAQVYPXQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-13-14-11-7-6-10(8-12(11)15-13)20(18,19)16-9-4-2-1-3-5-9/h6-9,16H,1-5H2,(H2,14,15,17).
What are the key properties of N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 2956642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).