N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide

C17H17ClFN3O3S — CID 47813459

IUPACN-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1)c1cccnc1
InChIInChI=1S/C17H17ClFN3O3S/c18-14-4-1-5-15(16(14)19)26(24,25)22-9-6-13(7-10-22)21-17(23)12-3-2-8-20-11-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,23)
InChIKeySJDQUHRSDOWPOA-UHFFFAOYSA-N
MW397.86 g/mol
LogP2.46
Rot. Bonds4

About N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide

N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47813459) has the molecular formula C17H17ClFN3O3S and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
PubChem CID47813459
Molecular FormulaC17H17ClFN3O3S
Molecular Weight397.86 g/mol
Exact Mass397.07
IUPAC NameN-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1)c1cccnc1
InChIInChI=1S/C17H17ClFN3O3S/c18-14-4-1-5-15(16(14)19)26(24,25)22-9-6-13(7-10-22)21-17(23)12-3-2-8-20-11-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,23)
InChIKeySJDQUHRSDOWPOA-UHFFFAOYSA-N
XLogP2.46
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813446
N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 3458992
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
N-[1-(2-methyl-6-nitrophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47075501
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 52508320
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 3218814
N-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924893

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide (CID 47813459) is N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1)c1cccnc1.
What is the InChIKey of N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is SJDQUHRSDOWPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O3S/c18-14-4-1-5-15(16(14)19)26(24,25)22-9-6-13(7-10-22)21-17(23)12-3-2-8-20-11-12/h1-5,8,11,13H,6-7,9-10H2,(H,21,23).
What are the key properties of N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide?
N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47813459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).