N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide

C14H19ClN2O3S — CID 17027094

IUPACN-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-2-21(19,20)17-9-7-11(8-10-17)14(18)16-13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyBIVLRPQVISYCRC-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.34
Rot. Bonds4

About N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 17027094) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID17027094
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O3S/c1-2-21(19,20)17-9-7-11(8-10-17)14(18)16-13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,16,18)
InChIKeyBIVLRPQVISYCRC-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoic acid
CID 119164224
N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 24529866
N-(5-chloro-2-hydroxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 2953828
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
N-(3-chloro-4-methylphenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642585
N-(4-chlorophenyl)-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 166628369
4-[(4-chlorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 66651371
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 27782107
1-(4-acetylphenyl)sulfonyl-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 26581253
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 1077650

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 17027094) is N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is BIVLRPQVISYCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-2-21(19,20)17-9-7-11(8-10-17)14(18)16-13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17027094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).