N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide

C18H24ClFN2O3S — CID 68873987

IUPACN-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1)C1CCCCC1
InChIInChI=1S/C18H24ClFN2O3S/c19-15-9-4-10-16(17(15)20)26(24,25)22-11-5-8-14(12-22)21-18(23)13-6-2-1-3-7-13/h4,9-10,13-14H,1-3,5-8,11-12H2,(H,21,23)
InChIKeyVOUZVXPXDQGRTB-UHFFFAOYSA-N
MW402.92 g/mol
LogP3.33
Rot. Bonds4

About N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide

N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide (PubChem CID 68873987) has the molecular formula C18H24ClFN2O3S and a molecular weight of 402.92 g/mol. Its IUPAC name is N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
PubChem CID68873987
Molecular FormulaC18H24ClFN2O3S
Molecular Weight402.92 g/mol
Exact Mass402.12
IUPAC NameN-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1)C1CCCCC1
InChIInChI=1S/C18H24ClFN2O3S/c19-15-9-4-10-16(17(15)20)26(24,25)22-11-5-8-14(12-22)21-18(23)13-6-2-1-3-7-13/h4,9-10,13-14H,1-3,5-8,11-12H2,(H,21,23)
InChIKeyVOUZVXPXDQGRTB-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
N-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 68875719
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 68872036
[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 43589685
1-(3-chlorophenyl)sulfonyl-N-cycloheptylpiperidine-3-carboxamide
CID 69262233
1-(3-chloro-2-methylphenyl)sulfonyl-N-(3-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69263233
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 7014300
N-[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide
CID 58656229
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide
CID 11639788

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide (CID 68873987) is N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide is O=C(NC1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1)C1CCCCC1.
What is the InChIKey of N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
The InChIKey is VOUZVXPXDQGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN2O3S/c19-15-9-4-10-16(17(15)20)26(24,25)22-11-5-8-14(12-22)21-18(23)13-6-2-1-3-7-13/h4,9-10,13-14H,1-3,5-8,11-12H2,(H,21,23).
What are the key properties of N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide?
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide has a molecular weight of 402.92 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 68873987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).