N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide

C15H21NO2S — CID 737669

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-13-7-9-15(10-8-13)19(17,18)16-12-11-14-5-3-2-4-6-14/h5,7-10,16H,2-4,6,11-12H2,1H3
InChIKeyOPBBTHFGHLASGL-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide

N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 737669) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID737669
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-13-7-9-15(10-8-13)19(17,18)16-12-11-14-5-3-2-4-6-14/h5,7-10,16H,2-4,6,11-12H2,1H3
InChIKeyOPBBTHFGHLASGL-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide (CID 737669) is N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is OPBBTHFGHLASGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-13-7-9-15(10-8-13)19(17,18)16-12-11-14-5-3-2-4-6-14/h5,7-10,16H,2-4,6,11-12H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 279.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 737669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).