N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide

C17H24FN3O3S — CID 35398779

IUPACN-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H24FN3O3S/c18-14-5-4-8-16(13-14)25(23,24)21-11-9-20(10-12-21)17(22)19-15-6-2-1-3-7-15/h4-5,8,13,15H,1-3,6-7,9-12H2,(H,19,22)
InChIKeyQHXJEXWZNYWYNB-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.17
Rot. Bonds3

About N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide

N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 35398779) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
PubChem CID35398779
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC NameN-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C17H24FN3O3S/c18-14-5-4-8-16(13-14)25(23,24)21-11-9-20(10-12-21)17(22)19-15-6-2-1-3-7-15/h4-5,8,13,15H,1-3,6-7,9-12H2,(H,19,22)
InChIKeyQHXJEXWZNYWYNB-UHFFFAOYSA-N
XLogP2.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[4-(cyclohexylcarbamoyl)piperazin-1-yl]sulfonylbenzoate
CID 35398766
N-cyclopentyl-4-(3,4-dichlorophenyl)sulfonylpiperazine-1-carboxamide
CID 27534567
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclohexanecarboxylate
CID 9016889
N-[(S)-cyclopropyl(phenyl)methyl]-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 41256126
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
N-(4-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 27868228
4-(3-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 51168489
2-(azocan-1-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8679846
4-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperazine-1-carbothioamide
CID 8745764
N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
CID 91903795

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide (CID 35398779) is N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is QHXJEXWZNYWYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c18-14-5-4-8-16(13-14)25(23,24)21-11-9-20(10-12-21)17(22)19-15-6-2-1-3-7-15/h4-5,8,13,15H,1-3,6-7,9-12H2,(H,19,22).
What are the key properties of N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide?
N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 35398779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).