N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C17H25N3O3S — CID 39886497

IUPACN-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCCCCCC3)ccc21
InChIInChI=1S/C17H25N3O3S/c1-19-15-11-10-14(12-16(15)20(2)17(19)21)24(22,23)18-13-8-6-4-3-5-7-9-13/h10-13,18H,3-9H2,1-2H3
InChIKeyCVSYIVYFCRAUGM-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.27
Rot. Bonds3

About N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 39886497) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID39886497
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCCCCCC3)ccc21
InChIInChI=1S/C17H25N3O3S/c1-19-15-11-10-14(12-16(15)20(2)17(19)21)24(22,23)18-13-8-6-4-3-5-7-9-13/h10-13,18H,3-9H2,1-2H3
InChIKeyCVSYIVYFCRAUGM-UHFFFAOYSA-N
XLogP2.27
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119960641
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N-cyclooctyl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 46389273
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 50778781
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 120722140
N-cyclohexyl-3,4-difluorobenzenesulfonamide
CID 19681091
1,3-dimethyl-2-oxo-N-propylbenzimidazole-5-sulfonamide
CID 3158003
N-cyclooctyl-1-methyl-2-oxo-3-propan-2-ylideneindole-5-sulfonamide
CID 50760091
1,3-dimethyl-N-(4-methyl-2-pyridinyl)-2-oxobenzimidazole-5-sulfonamide
CID 35141950
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cyclohexyl-3-methylsulfonylbenzenesulfonamide
CID 6462647
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 39886497) is N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCCCCCC3)ccc21.
What is the InChIKey of N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is CVSYIVYFCRAUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-19-15-11-10-14(12-16(15)20(2)17(19)21)24(22,23)18-13-8-6-4-3-5-7-9-13/h10-13,18H,3-9H2,1-2H3.
What are the key properties of N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 351.47 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 39886497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).