(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide

C15H20ClFN2O3S — CID 51955455

IUPAC(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2F)C1
InChIInChI=1S/C15H20ClFN2O3S/c1-2-8-23(21,22)19-7-3-4-11(10-19)15(20)18-14-9-12(16)5-6-13(14)17/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyCUYLZMMZJMITSQ-NSHDSACASA-N
MW362.85 g/mol
LogP2.87
Rot. Bonds5

About (3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide

(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 51955455) has the molecular formula C15H20ClFN2O3S and a molecular weight of 362.85 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID51955455
Molecular FormulaC15H20ClFN2O3S
Molecular Weight362.85 g/mol
Exact Mass362.09
IUPAC Name(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2F)C1
InChIInChI=1S/C15H20ClFN2O3S/c1-2-8-23(21,22)19-7-3-4-11(10-19)15(20)18-14-9-12(16)5-6-13(14)17/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyCUYLZMMZJMITSQ-NSHDSACASA-N
XLogP2.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
N-(5-chloro-1,3-benzothiazol-2-yl)-1-propylsulfonylpiperidine-3-carboxamide
CID 86998115
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116
N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 146337060
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51393659
N-(2,5-difluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023400
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755676
N-(2-fluoro-5-methylphenyl)-1-sulfamoylpiperidine-3-carboxamide
CID 131961579
(3S)-N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9272798
(3R)-N-(5-chloro-2-methylphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641466

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 51955455) is (3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2F)C1.
What is the InChIKey of (3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is CUYLZMMZJMITSQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20ClFN2O3S/c1-2-8-23(21,22)19-7-3-4-11(10-19)15(20)18-14-9-12(16)5-6-13(14)17/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide?
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 362.85 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51955455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).