N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide

C15H21ClN2O3S — CID 99839363

IUPACN-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide
SMILESCCS(=O)(=O)C1CCN(C(=O)Nc2cccc(C)c2Cl)CC1
InChIInChI=1S/C15H21ClN2O3S/c1-3-22(20,21)12-7-9-18(10-8-12)15(19)17-13-6-4-5-11(2)14(13)16/h4-6,12H,3,7-10H2,1-2H3,(H,17,19)
InChIKeyOURGIKSDMIEVFJ-UHFFFAOYSA-N
MW344.86 g/mol
LogP3.08
Rot. Bonds3

About N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide

N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide (PubChem CID 99839363) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide
PubChem CID99839363
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide
SMILESCCS(=O)(=O)C1CCN(C(=O)Nc2cccc(C)c2Cl)CC1
InChIInChI=1S/C15H21ClN2O3S/c1-3-22(20,21)12-7-9-18(10-8-12)15(19)17-13-6-4-5-11(2)14(13)16/h4-6,12H,3,7-10H2,1-2H3,(H,17,19)
InChIKeyOURGIKSDMIEVFJ-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 71973172
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
(3R)-N-(2-chlorophenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 97414951
4-ethylsulfonyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-1-carboxamide
CID 126788415
4-ethylsulfonyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]piperidine-1-carboxamide
CID 136536764
1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122093009
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111834
1-[(2-cyano-3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 107799995
ethyl 4-[4-[(2,3-dimethylphenyl)carbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113110044
N-(2-chlorophenyl)-4-(ethylaminomethyl)piperidine-1-carboxamide
CID 80552313
4-(furan-2-ylmethylsulfonyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 90590668
N-(2-ethoxyphenyl)-3-methylsulfonylpyrrolidine-1-carboxamide
CID 90584758

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide?
The IUPAC name of N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide (CID 99839363) is N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide is CCS(=O)(=O)C1CCN(C(=O)Nc2cccc(C)c2Cl)CC1.
What is the InChIKey of N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide?
The InChIKey is OURGIKSDMIEVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-3-22(20,21)12-7-9-18(10-8-12)15(19)17-13-6-4-5-11(2)14(13)16/h4-6,12H,3,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide?
N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide has a molecular weight of 344.86 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylphenyl)-4-ethylsulfonylpiperidine-1-carboxamide is sourced from PubChem (CID 99839363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).