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

C14H19N3O3S — CID 8777926

IUPACN-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCCCCC3)cc2[nH]1
InChIInChI=1S/C14H19N3O3S/c18-14-15-12-8-7-11(9-13(12)16-14)21(19,20)17-10-5-3-1-2-4-6-10/h7-10,17H,1-6H2,(H2,15,16,18)
InChIKeyIGQBYJFCWAOKPV-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.86
Rot. Bonds3

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

N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 8777926) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID8777926
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCCCCC3)cc2[nH]1
InChIInChI=1S/C14H19N3O3S/c18-14-15-12-8-7-11(9-13(12)16-14)21(19,20)17-10-5-3-1-2-4-6-10/h7-10,17H,1-6H2,(H2,15,16,18)
InChIKeyIGQBYJFCWAOKPV-UHFFFAOYSA-N
XLogP1.86
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526
ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate
CID 110413355
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide
CID 126798915
N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909726
2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 34112148
2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777909
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
N-cyclohexyl-2,3-dioxo-1H-indole-5-sulfonamide
CID 5115250
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886497
N-cycloheptyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 20858702
6-(cyclohexylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
CID 5061749

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 8777926) is N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NC3CCCCCC3)cc2[nH]1.
What is the InChIKey of N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is IGQBYJFCWAOKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-14-15-12-8-7-11(9-13(12)16-14)21(19,20)17-10-5-3-1-2-4-6-10/h7-10,17H,1-6H2,(H2,15,16,18).
What are the key properties of N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 8777926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).