N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide

C19H27FN2O3S — CID 68874031

IUPACN-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)[C@@]1(NC(=O)C2CCCCC2)CCCNC1
InChIInChI=1S/C19H27FN2O3S/c1-14-12-16(20)8-9-17(14)26(24,25)19(10-5-11-21-13-19)22-18(23)15-6-3-2-4-7-15/h8-9,12,15,21H,2-7,10-11,13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeySOBWIXOGBCOPCO-IBGZPJMESA-N
MW382.50 g/mol
LogP2.68
Rot. Bonds4

About N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide

N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide (PubChem CID 68874031) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
PubChem CID68874031
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC NameN-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)[C@@]1(NC(=O)C2CCCCC2)CCCNC1
InChIInChI=1S/C19H27FN2O3S/c1-14-12-16(20)8-9-17(14)26(24,25)19(10-5-11-21-13-19)22-18(23)15-6-3-2-4-7-15/h8-9,12,15,21H,2-7,10-11,13H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeySOBWIXOGBCOPCO-IBGZPJMESA-N
XLogP2.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide (CID 68874031) is N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide is Cc1cc(F)ccc1S(=O)(=O)[C@@]1(NC(=O)C2CCCCC2)CCCNC1.
What is the InChIKey of N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The InChIKey is SOBWIXOGBCOPCO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-14-12-16(20)8-9-17(14)26(24,25)19(10-5-11-21-13-19)22-18(23)15-6-3-2-4-7-15/h8-9,12,15,21H,2-7,10-11,13H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide has a molecular weight of 382.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 68874031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).