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

C21H25ClN2O3S — CID 42908081

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c(Cl)c1
InChIInChI=1S/C21H25ClN2O3S/c1-14-5-4-10-24(13-14)28(26,27)18-8-6-17(7-9-18)21(25)23-20-16(3)11-15(2)12-19(20)22/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,23,25)
InChIKeyRIYCYIWWSNUVEZ-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.63
Rot. Bonds4

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

N-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 42908081) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID42908081
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c(Cl)c1
InChIInChI=1S/C21H25ClN2O3S/c1-14-5-4-10-24(13-14)28(26,27)18-8-6-17(7-9-18)21(25)23-20-16(3)11-15(2)12-19(20)22/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,23,25)
InChIKeyRIYCYIWWSNUVEZ-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4004468
3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 26200446
4-chloro-N-(2-chloro-4,6-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3972572
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 30478014
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
(3S)-1-(4-chlorophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 40726995
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 26918777
4-(3-methylpiperidin-1-yl)sulfonyl-N-(4-methylsulfanylphenyl)benzamide
CID 16811498
4-methoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311372
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide (CID 42908081) is N-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)N3CCCC(C)C3)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is RIYCYIWWSNUVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-14-5-4-10-24(13-14)28(26,27)18-8-6-17(7-9-18)21(25)23-20-16(3)11-15(2)12-19(20)22/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,23,25).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide?
N-(2-chloro-4,6-dimethylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 420.96 g/mol, XLogP of 4.63, 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)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 42908081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).