N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

C21H25ClN2O3S — CID 18225328

IUPACN-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c(Cl)c1
InChIInChI=1S/C21H25ClN2O3S/c1-14-4-9-20(19(22)11-14)23-21(25)17-5-7-18(8-6-17)28(26,27)24-12-15(2)10-16(3)13-24/h4-9,11,15-16H,10,12-13H2,1-3H3,(H,23,25)
InChIKeyRXLXOVOLNMIATM-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.57
Rot. Bonds4

About N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide

N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 18225328) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID18225328
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC NameN-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c(Cl)c1
InChIInChI=1S/C21H25ClN2O3S/c1-14-4-9-20(19(22)11-14)23-21(25)17-5-7-18(8-6-17)28(26,27)24-12-15(2)10-16(3)13-24/h4-9,11,15-16H,10,12-13H2,1-3H3,(H,23,25)
InChIKeyRXLXOVOLNMIATM-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 7788396
N-(2-chloro-4-methylphenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926672
N-(2-chloro-4-methylphenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926671
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713920
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713922
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-[4-[[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 124837249
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961549
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961547
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961551
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide
CID 153352350
N-(2-chloro-4-methylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26637625

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide (CID 18225328) is N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is RXLXOVOLNMIATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-14-4-9-20(19(22)11-14)23-21(25)17-5-7-18(8-6-17)28(26,27)24-12-15(2)10-16(3)13-24/h4-9,11,15-16H,10,12-13H2,1-3H3,(H,23,25).
What are the key properties of N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide?
N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 420.96 g/mol, XLogP of 4.57, 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-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 18225328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).