1-(benzenesulfonyl)cyclohexane-1-carboxamide

C13H17NO3S — CID 764996

IUPAC1-(benzenesulfonyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C13H17NO3S/c14-12(15)13(9-5-2-6-10-13)18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,14,15)
InChIKeyWDRBUBKNIMKILK-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.65
Rot. Bonds3

About 1-(benzenesulfonyl)cyclohexane-1-carboxamide

1-(benzenesulfonyl)cyclohexane-1-carboxamide (PubChem CID 764996) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)cyclohexane-1-carboxamide
PubChem CID764996
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name1-(benzenesulfonyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1
InChIInChI=1S/C13H17NO3S/c14-12(15)13(9-5-2-6-10-13)18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,14,15)
InChIKeyWDRBUBKNIMKILK-UHFFFAOYSA-N
XLogP1.65
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)cyclohexane-1-carboxamide (CID 764996) is 1-(benzenesulfonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)cyclohexane-1-carboxamide is NC(=O)C1(S(=O)(=O)c2ccccc2)CCCCC1.
What is the InChIKey of 1-(benzenesulfonyl)cyclohexane-1-carboxamide?
The InChIKey is WDRBUBKNIMKILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c14-12(15)13(9-5-2-6-10-13)18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,14,15).
What are the key properties of 1-(benzenesulfonyl)cyclohexane-1-carboxamide?
1-(benzenesulfonyl)cyclohexane-1-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 764996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).