2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide

C13H17NO2S — CID 142066457

IUPAC2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide
SMILESCC1=CCCCC1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C13H17NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h2-4,7-9,13-14H,5-6,10H2,1H3
InChIKeyNWGWDYZTRRIYPP-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.93
Rot. Bonds3

About 2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide

2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide (PubChem CID 142066457) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide
PubChem CID142066457
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide
SMILESCC1=CCCCC1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C13H17NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h2-4,7-9,13-14H,5-6,10H2,1H3
InChIKeyNWGWDYZTRRIYPP-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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 2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide?
The IUPAC name of 2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide (CID 142066457) is 2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide?
The canonical SMILES for 2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide is CC1=CCCCC1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide?
The InChIKey is NWGWDYZTRRIYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-11-7-5-6-10-13(11)17(15,16)14-12-8-3-2-4-9-12/h2-4,7-9,13-14H,5-6,10H2,1H3.
What are the key properties of 2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide?
2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylcyclohex-2-ene-1-sulfonamide is sourced from PubChem (CID 142066457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).