N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide

C22H23NO2S — CID 102055177

IUPACN-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC#Cc2ccccc2)C2C=CCCC2)cc1
InChIInChI=1S/C22H23NO2S/c1-19-14-16-22(17-15-19)26(24,25)23(21-12-6-3-7-13-21)18-8-11-20-9-4-2-5-10-20/h2,4-6,9-10,12,14-17,21H,3,7,13,18H2,1H3
InChIKeyYUIJYWMLEPFSNI-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.15
Rot. Bonds4

About N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide

N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide (PubChem CID 102055177) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
PubChem CID102055177
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC NameN-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC#Cc2ccccc2)C2C=CCCC2)cc1
InChIInChI=1S/C22H23NO2S/c1-19-14-16-22(17-15-19)26(24,25)23(21-12-6-3-7-13-21)18-8-11-20-9-4-2-5-10-20/h2,4-6,9-10,12,14-17,21H,3,7,13,18H2,1H3
InChIKeyYUIJYWMLEPFSNI-UHFFFAOYSA-N
XLogP4.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohex-2-en-1-yl-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 15529725
N-cyclohex-2-en-1-yl-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 71084250
N-but-3-enyl-N-cyclohex-2-en-1-yl-4-methylbenzenesulfonamide
CID 11077613
N-[(2Z)-cyclooct-2-en-1-yl]-N-(3-iodoprop-2-ynyl)-4-nitrobenzenesulfonamide
CID 132565227
N-but-3-enyl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 135077522
N-[3-(2-ethynylphenyl)prop-2-ynyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 44517972
N-[(E)-benzylideneamino]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 135036563
CID 162416867
CID 162416867
N-[(3E)-3-(benzenesulfonyl)-5-methylhexa-3,5-dienyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 16724424
N-[3-(benzenesulfonyl)-5-methylhexa-3,4-dienyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 16724311
N-[(2S)-2,3-dihydroxypropyl]-4-methyl-N-[3-(4-methylphenyl)prop-2-ynyl]benzenesulfonamide
CID 24950668
N-[[(1R,5R,6S)-5-hydroxy-3,3-dimethyl-1-bicyclo[4.1.0]heptanyl]methyl]-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide
CID 71512182

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide?
The IUPAC name of N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide (CID 102055177) is N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC#Cc2ccccc2)C2C=CCCC2)cc1.
What is the InChIKey of N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide?
The InChIKey is YUIJYWMLEPFSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-19-14-16-22(17-15-19)26(24,25)23(21-12-6-3-7-13-21)18-8-11-20-9-4-2-5-10-20/h2,4-6,9-10,12,14-17,21H,3,7,13,18H2,1H3.
What are the key properties of N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide?
N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide has a molecular weight of 365.50 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-4-methyl-N-(3-phenylprop-2-ynyl)benzenesulfonamide is sourced from PubChem (CID 102055177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).