N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

C21H25ClN2O3S — CID 26200344

IUPACN-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c(Cl)c1
InChIInChI=1S/C21H25ClN2O3S/c1-14-11-15(2)20(19(22)12-14)23-21(25)17-8-6-9-18(13-17)28(26,27)24-10-5-4-7-16(24)3/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyVCKVGJCWHVVOOB-MRXNPFEDSA-N
MW420.96 g/mol
LogP4.77
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (PubChem CID 26200344) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
PubChem CID26200344
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c(Cl)c1
InChIInChI=1S/C21H25ClN2O3S/c1-14-11-15(2)20(19(22)12-14)23-21(25)17-8-6-9-18(13-17)28(26,27)24-10-5-4-7-16(24)3/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3,(H,23,25)/t16-/m1/s1
InChIKeyVCKVGJCWHVVOOB-MRXNPFEDSA-N
XLogP4.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 26200446
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 16575285
N-(4-chloro-3-nitrophenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55363490
3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556170
N-(2-chloro-4,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4004468
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55600239
3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085984

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide (CID 26200344) is N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
The InChIKey is VCKVGJCWHVVOOB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-14-11-15(2)20(19(22)12-14)23-21(25)17-8-6-9-18(13-17)28(26,27)24-10-5-4-7-16(24)3/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide?
N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide has a molecular weight of 420.96 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 26200344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).