N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

C19H21ClN2O3S — CID 9411283

IUPACN-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c1-14-7-4-5-12-22(14)26(24,25)16-9-6-8-15(13-16)19(23)21-18-11-3-2-10-17(18)20/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyMQMPHZGATQAXSS-AWEZNQCLSA-N
MW392.91 g/mol
LogP4.16
Rot. Bonds4

About N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide

N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 9411283) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID9411283
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESC[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O3S/c1-14-7-4-5-12-22(14)26(24,25)16-9-6-8-15(13-16)19(23)21-18-11-3-2-10-17(18)20/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyMQMPHZGATQAXSS-AWEZNQCLSA-N
XLogP4.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363
N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 26200344
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55765691
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
N-(4-chloro-3-nitrophenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55363490
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55383504
N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55979789
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide
CID 9479993
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 9411283) is N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is MQMPHZGATQAXSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-7-4-5-12-22(14)26(24,25)16-9-6-8-15(13-16)19(23)21-18-11-3-2-10-17(18)20/h2-3,6,8-11,13-14H,4-5,7,12H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide?
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 9411283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).