(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C19H27FN2O3S — CID 9268767

IUPAC(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H27FN2O3S/c20-16-9-11-18(12-10-16)26(24,25)22-13-5-6-15(14-22)19(23)21-17-7-3-1-2-4-8-17/h9-12,15,17H,1-8,13-14H2,(H,21,23)/t15-/m0/s1
InChIKeyKEXXXICCMSWBGG-HNNXBMFYSA-N
MW382.50 g/mol
LogP3.07
Rot. Bonds4

About (3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 9268767) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is (3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID9268767
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC Name(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H27FN2O3S/c20-16-9-11-18(12-10-16)26(24,25)22-13-5-6-15(14-22)19(23)21-17-7-3-1-2-4-8-17/h9-12,15,17H,1-8,13-14H2,(H,21,23)/t15-/m0/s1
InChIKeyKEXXXICCMSWBGG-HNNXBMFYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
cis-(1R,3S)-3-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678343
(3R)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40961581
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133168196
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 55859239
(3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 92687131

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 9268767) is (3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is O=C(NC1CCCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is KEXXXICCMSWBGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c20-16-9-11-18(12-10-16)26(24,25)22-13-5-6-15(14-22)19(23)21-17-7-3-1-2-4-8-17/h9-12,15,17H,1-8,13-14H2,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 9268767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).