N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide

C15H17F3N2O3S — CID 17450703

IUPACN-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CC=CCC1
InChIInChI=1S/C15H17F3N2O3S/c16-15(17,18)10-19-24(22,23)13-8-6-12(7-9-13)20-14(21)11-4-2-1-3-5-11/h1-2,6-9,11,19H,3-5,10H2,(H,20,21)
InChIKeyMRYJXNXMZCNQEY-UHFFFAOYSA-N
MW362.37 g/mol
LogP2.82
Rot. Bonds5

About N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide

N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 17450703) has the molecular formula C15H17F3N2O3S and a molecular weight of 362.37 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID17450703
Molecular FormulaC15H17F3N2O3S
Molecular Weight362.37 g/mol
Exact Mass362.09
IUPAC NameN-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CC=CCC1
InChIInChI=1S/C15H17F3N2O3S/c16-15(17,18)10-19-24(22,23)13-8-6-12(7-9-13)20-14(21)11-4-2-1-3-5-11/h1-2,6-9,11,19H,3-5,10H2,(H,20,21)
InChIKeyMRYJXNXMZCNQEY-UHFFFAOYSA-N
XLogP2.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
1-(4-fluorobenzoyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 26425670
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 25498236
2-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]acetic acid
CID 24700813
(1R)-N-(4-anilinophenyl)cyclohex-3-ene-1-carboxamide
CID 51927414
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclohex-3-ene-1-carboxamide
CID 134039501
3-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]azetidine-1-carboxamide
CID 154764343
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide (CID 17450703) is N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C1CC=CCC1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is MRYJXNXMZCNQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O3S/c16-15(17,18)10-19-24(22,23)13-8-6-12(7-9-13)20-14(21)11-4-2-1-3-5-11/h1-2,6-9,11,19H,3-5,10H2,(H,20,21).
What are the key properties of N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide?
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 362.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 17450703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).