N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide

C18H25FN2O3S — CID 68873833

IUPACN-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@]1(S(=O)(=O)c2ccc(F)cc2)CCCNC1)C1CCCCC1
InChIInChI=1S/C18H25FN2O3S/c19-15-7-9-16(10-8-15)25(23,24)18(11-4-12-20-13-18)21-17(22)14-5-2-1-3-6-14/h7-10,14,20H,1-6,11-13H2,(H,21,22)/t18-/m1/s1
InChIKeyRIXUSQJWFFIAEU-GOSISDBHSA-N
MW368.47 g/mol
LogP2.38
Rot. Bonds4

About N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide

N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide (PubChem CID 68873833) has the molecular formula C18H25FN2O3S and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
PubChem CID68873833
Molecular FormulaC18H25FN2O3S
Molecular Weight368.47 g/mol
Exact Mass368.16
IUPAC NameN-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(N[C@@]1(S(=O)(=O)c2ccc(F)cc2)CCCNC1)C1CCCCC1
InChIInChI=1S/C18H25FN2O3S/c19-15-7-9-16(10-8-15)25(23,24)18(11-4-12-20-13-18)21-17(22)14-5-2-1-3-6-14/h7-10,14,20H,1-6,11-13H2,(H,21,22)/t18-/m1/s1
InChIKeyRIXUSQJWFFIAEU-GOSISDBHSA-N
XLogP2.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide (CID 68873833) is N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide is O=C(N[C@@]1(S(=O)(=O)c2ccc(F)cc2)CCCNC1)C1CCCCC1.
What is the InChIKey of N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The InChIKey is RIXUSQJWFFIAEU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25FN2O3S/c19-15-7-9-16(10-8-15)25(23,24)18(11-4-12-20-13-18)21-17(22)14-5-2-1-3-6-14/h7-10,14,20H,1-6,11-13H2,(H,21,22)/t18-/m1/s1.
What are the key properties of N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 68873833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).