N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide

C14H19ClN2O3S — CID 119290590

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C14H19ClN2O3S/c15-12-1-3-13(4-2-12)21(19,20)10-9-17-14(18)11-5-7-16-8-6-11/h1-4,11,16H,5-10H2,(H,17,18)
InChIKeyBCQVZGWURJRNHL-UHFFFAOYSA-N
MW330.84 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide

N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide (PubChem CID 119290590) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
PubChem CID119290590
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(Cl)cc1)C1CCNCC1
InChIInChI=1S/C14H19ClN2O3S/c15-12-1-3-13(4-2-12)21(19,20)10-9-17-14(18)11-5-7-16-8-6-11/h1-4,11,16H,5-10H2,(H,17,18)
InChIKeyBCQVZGWURJRNHL-UHFFFAOYSA-N
XLogP1.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(4-tert-butylphenyl)sulfonylethyl]pyrrolidine-3-carboxamide
CID 124735778
N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278612
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]cyclopentanecarboxamide
CID 136515996
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenyl)sulfonylethyl]acetamide
CID 119725578
N-[2-(3-bromophenyl)sulfonylethyl]cyclopropanecarboxamide
CID 138020430
N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
CID 132968648
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide (CID 119290590) is N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide is O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)C1CCNCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide?
The InChIKey is BCQVZGWURJRNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c15-12-1-3-13(4-2-12)21(19,20)10-9-17-14(18)11-5-7-16-8-6-11/h1-4,11,16H,5-10H2,(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide?
N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119290590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).