N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

C20H23ClN2O3S — CID 8780251

IUPACN-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-14-13-17(21)8-11-19(14)22-20(24)16-6-9-18(10-7-16)27(25,26)23-12-4-3-5-15(23)2/h6-11,13,15H,3-5,12H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyPUIOFANEKBSLAP-OAHLLOKOSA-N
MW406.94 g/mol
LogP4.46
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 8780251) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID8780251
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-14-13-17(21)8-11-19(14)22-20(24)16-6-9-18(10-7-16)27(25,26)23-12-4-3-5-15(23)2/h6-11,13,15H,3-5,12H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyPUIOFANEKBSLAP-OAHLLOKOSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9096526
N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 42905167
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
CID 112789629
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]cyclopropane-1-carboxylic acid
CID 97337411
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2155664

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 8780251) is N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is Cc1cc(Cl)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is PUIOFANEKBSLAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-14-13-17(21)8-11-19(14)22-20(24)16-6-9-18(10-7-16)27(25,26)23-12-4-3-5-15(23)2/h6-11,13,15H,3-5,12H2,1-2H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 8780251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).