N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

C16H23FN2O3S — CID 20629868

IUPACN-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15/h3-5,10-12,14,19H,6-9H2,1-2H3,(H,18,20)
InChIKeySADKCQYBYWWHPV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.65
Rot. Bonds5

About N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide

N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (PubChem CID 20629868) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
PubChem CID20629868
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
SMILESCC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15/h3-5,10-12,14,19H,6-9H2,1-2H3,(H,18,20)
InChIKeySADKCQYBYWWHPV-UHFFFAOYSA-N
XLogP2.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
N-[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629623
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
N-(3,4-diethoxyphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20629662
N-(4-cyanophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630510
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630080
N-[4-[acetyl(methyl)amino]phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630364
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
N-[4-(4-cyanophenyl)phenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630288
1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314077

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide (CID 20629868) is N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
The InChIKey is SADKCQYBYWWHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-11(2)23(21,22)19-14-8-6-12(7-9-14)16(20)18-15-5-3-4-13(17)10-15/h3-5,10-12,14,19H,6-9H2,1-2H3,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide?
N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 20629868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).