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

C12H15NO2S — CID 11183983

IUPACN-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C=CCC2)cc1
InChIInChI=1S/C12H15NO2S/c1-10-6-8-12(9-7-10)16(14,15)13-11-4-2-3-5-11/h2,4,6-9,11,13H,3,5H2,1H3
InChIKeyKFHANGVDOOPYBY-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.99
Rot. Bonds3

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

N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide (PubChem CID 11183983) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide
PubChem CID11183983
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC NameN-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C=CCC2)cc1
InChIInChI=1S/C12H15NO2S/c1-10-6-8-12(9-7-10)16(14,15)13-11-4-2-3-5-11/h2,4,6-9,11,13H,3,5H2,1H3
InChIKeyKFHANGVDOOPYBY-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

N-cyclohex-2-en-1-yl-4-nitrosobenzenesulfonamide
CID 101215814
N'-cyclopent-2-en-1-yl-N-(4-methylphenyl)sulfonylacetohydrazide
CID 135041692
N-cyclohex-2-en-1-yl-4-(trifluoromethyl)benzenesulfonamide
CID 11544020
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
N-[(1S,2S)-2-fluorocyclopropyl]-4-methylbenzenesulfonamide
CID 7154370
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
4-methyl-N-[(6S)-5-oxo-2H-pyran-6-yl]benzenesulfonamide
CID 71560269
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide?
The IUPAC name of N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide (CID 11183983) is N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2C=CCC2)cc1.
What is the InChIKey of N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide?
The InChIKey is KFHANGVDOOPYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-10-6-8-12(9-7-10)16(14,15)13-11-4-2-3-5-11/h2,4,6-9,11,13H,3,5H2,1H3.
What are the key properties of N-cyclopent-2-en-1-yl-4-methylbenzenesulfonamide?
N-cyclopent-2-en-1-yl-4-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-2-en-1-yl-4-methylbenzenesulfonamide is sourced from PubChem (CID 11183983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).