N-cyclohexyl-4-methylbenzenesulfonamide

C13H19NO2S — CID 6633

IUPACN-cyclohexyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3
InChIKeyDKYVVNLWACXMDW-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.61
Rot. Bonds3

About N-cyclohexyl-4-methylbenzenesulfonamide

N-cyclohexyl-4-methylbenzenesulfonamide (PubChem CID 6633) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-cyclohexyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-methylbenzenesulfonamide
PubChem CID6633
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-cyclohexyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3
InChIKeyDKYVVNLWACXMDW-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-methylbenzenesulfonamide (CID 6633) is N-cyclohexyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-methylbenzenesulfonamide?
The InChIKey is DKYVVNLWACXMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-4-methylbenzenesulfonamide?
N-cyclohexyl-4-methylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 6633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).