N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide

C13H17NO2S — CID 11107808

IUPACN-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C=CCCC2)cc1
InChIInChI=1S/C13H17NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h3,5,7-10,12,14H,2,4,6H2,1H3
InChIKeyUIXHIGQCEVVUAA-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.38
Rot. Bonds3

About N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide

N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide (PubChem CID 11107808) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
PubChem CID11107808
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC NameN-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C=CCCC2)cc1
InChIInChI=1S/C13H17NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h3,5,7-10,12,14H,2,4,6H2,1H3
InChIKeyUIXHIGQCEVVUAA-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Mafenide
CID 3998
Mafenide Hydrochloride
CID 67313
4-(2-Aminoethyl)benzenesulfonamide
CID 169682
N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
Glycyclamide
CID 12628
N-Methyl-p-toluenesulfonamide
CID 12543
N-Ethyl-p-toluenesulfonamide
CID 6637
Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
N-Butyl-p-toluenesulfonamide
CID 61285
4-(2-Aminoethyl)Benzenesulfonyl Fluoride
CID 1701
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
p-Toluenesulfonamide, N-benzyl-
CID 95801

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide (CID 11107808) is N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2C=CCCC2)cc1.
What is the InChIKey of N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide?
The InChIKey is UIXHIGQCEVVUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h3,5,7-10,12,14H,2,4,6H2,1H3.
What are the key properties of N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide?
N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide has a molecular weight of 251.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide is sourced from PubChem (CID 11107808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).