N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide

C24H23NO2S — CID 102313854

IUPACN-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C#CC#CC2=CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO2S/c1-20-16-18-23(19-17-20)28(26,27)25-24(22-13-6-3-7-14-22)15-9-8-12-21-10-4-2-5-11-21/h3,6-7,10,13-14,16-19,24-25H,2,4-5,11H2,1H3/t24-/m1/s1
InChIKeyOBJQKWHGNNMOOZ-XMMPIXPASA-N
MW389.52 g/mol
LogP4.52
Rot. Bonds4

About N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide

N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide (PubChem CID 102313854) has the molecular formula C24H23NO2S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide
PubChem CID102313854
Molecular FormulaC24H23NO2S
Molecular Weight389.52 g/mol
Exact Mass389.14
IUPAC NameN-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](C#CC#CC2=CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C24H23NO2S/c1-20-16-18-23(19-17-20)28(26,27)25-24(22-13-6-3-7-14-22)15-9-8-12-21-10-4-2-5-11-21/h3,6-7,10,13-14,16-19,24-25H,2,4-5,11H2,1H3/t24-/m1/s1
InChIKeyOBJQKWHGNNMOOZ-XMMPIXPASA-N
XLogP4.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[[(1Z)-8-oxocycloocten-1-yl]-phenylmethyl]benzenesulfonamide
CID 101213725
N-[(1S)-1,5-diphenylpent-2-ynyl]-4-methylbenzenesulfonamide
CID 102410746
N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]-4-methylbenzenesulfonamide
CID 23649829
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 57149515
4-methyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylprop-2-ynyl]benzenesulfonamide
CID 102582929
4-methyl-N-(2,3,3-trifluoro-1-phenylprop-2-enyl)benzenesulfonamide
CID 102415816
N-[4-(benzotriazol-1-yl)-1-phenylbut-2-ynyl]-4-methylbenzenesulfonamide
CID 3783055
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
CID 2784014
N-[(1S)-1,3-diphenylprop-2-ynyl]-4-methoxybenzenesulfonamide
CID 102410740

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide (CID 102313854) is N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](C#CC#CC2=CCCCC2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide?
The InChIKey is OBJQKWHGNNMOOZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23NO2S/c1-20-16-18-23(19-17-20)28(26,27)25-24(22-13-6-3-7-14-22)15-9-8-12-21-10-4-2-5-11-21/h3,6-7,10,13-14,16-19,24-25H,2,4-5,11H2,1H3/t24-/m1/s1.
What are the key properties of N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide?
N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-(cyclohexen-1-yl)-1-phenylpenta-2,4-diynyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102313854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).