N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide

C12H15NO2S — CID 115695655

IUPACN-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CC=CC1
InChIInChI=1S/C12H15NO2S/c1-10-6-2-5-9-12(10)16(14,15)13-11-7-3-4-8-11/h2-6,9,11,13H,7-8H2,1H3
InChIKeyWNRNEQBFTZGQML-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.99
Rot. Bonds3

About N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide

N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide (PubChem CID 115695655) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide
PubChem CID115695655
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC1CC=CC1
InChIInChI=1S/C12H15NO2S/c1-10-6-2-5-9-12(10)16(14,15)13-11-7-3-4-8-11/h2-6,9,11,13H,7-8H2,1H3
InChIKeyWNRNEQBFTZGQML-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.99
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

2-methyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 105056081
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821806
N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
CID 113248074
2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-5-yl)benzenesulfonamide
CID 18929784
2-methyl-N-[[(2-methylphenyl)sulfonylamino]disulfanyl]benzenesulfonamide
CID 88610008
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
N-cyclopent-3-en-1-yl-5-methyl-1H-pyrazole-4-sulfonamide
CID 115695681
2-methyl-N-(2-oxo-5,6,7,8-tetrahydrochromen-6-yl)benzenesulfonamide
CID 70187609
sodium N-chloro-2-methylbenzenesulfonamide
CID 23619818
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
sodium;N-chloro-2-methylbenzenesulfonamide;hydride
CID 173064150
2-methyl-N-phenylbenzenesulfonamide
CID 3017048

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide?
The IUPAC name of N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide (CID 115695655) is N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NC1CC=CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide?
The InChIKey is WNRNEQBFTZGQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-10-6-2-5-9-12(10)16(14,15)13-11-7-3-4-8-11/h2-6,9,11,13H,7-8H2,1H3.
What are the key properties of N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide?
N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide has a molecular weight of 237.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide is sourced from PubChem (CID 115695655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).