N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide

C14H18ClFN2O3S — CID 146337060

IUPACN-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)Nc2cccc(F)c2Cl)C1
InChIInChI=1S/C14H18ClFN2O3S/c1-2-22(20,21)18-8-4-5-10(9-18)14(19)17-12-7-3-6-11(16)13(12)15/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,17,19)
InChIKeyRJBGGKWSGDJTIF-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.48
Rot. Bonds4

About N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide

N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 146337060) has the molecular formula C14H18ClFN2O3S and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID146337060
Molecular FormulaC14H18ClFN2O3S
Molecular Weight348.83 g/mol
Exact Mass348.07
IUPAC NameN-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)Nc2cccc(F)c2Cl)C1
InChIInChI=1S/C14H18ClFN2O3S/c1-2-22(20,21)18-8-4-5-10(9-18)14(19)17-12-7-3-6-11(16)13(12)15/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,17,19)
InChIKeyRJBGGKWSGDJTIF-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103
(3R)-N-(3-carbamoyl-2-methylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 95875581
(3R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447130
(3R)-1-ethylsulfonyl-N-(2-methyl-3-nitrophenyl)piperidine-3-carboxamide
CID 125145391
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
(3R)-1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1081660
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92641636

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide (CID 146337060) is N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)Nc2cccc(F)c2Cl)C1.
What is the InChIKey of N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is RJBGGKWSGDJTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O3S/c1-2-22(20,21)18-8-4-5-10(9-18)14(19)17-12-7-3-6-11(16)13(12)15/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,17,19).
What are the key properties of N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 146337060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).