N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C20H23ClN2O3S — CID 26115158

IUPACN-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-14-10-12-23(13-11-14)27(25,26)17-8-6-16(7-9-17)20(24)22-19-5-3-4-18(21)15(19)2/h3-9,14H,10-13H2,1-2H3,(H,22,24)
InChIKeySQEBEWPCSZOHOK-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.32
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 26115158) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID26115158
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C20H23ClN2O3S/c1-14-10-12-23(13-11-14)27(25,26)17-8-6-16(7-9-17)20(24)22-19-5-3-4-18(21)15(19)2/h3-9,14H,10-13H2,1-2H3,(H,22,24)
InChIKeySQEBEWPCSZOHOK-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 18074383
N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 1325689
N-[2-(methoxymethyl)phenyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55780199
4-(4-methylpiperidin-1-yl)sulfonyl-N-(2-phenoxyphenyl)benzamide
CID 23904570
N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26239772
N-(2-ethoxy-3-pyridinyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 34877593
N-[(2-chlorophenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26692000
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 9074610
2-(2,3-dimethylanilino)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110824215
2-chloro-N-(2-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591320
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 26115158) is N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is SQEBEWPCSZOHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-14-10-12-23(13-11-14)27(25,26)17-8-6-16(7-9-17)20(24)22-19-5-3-4-18(21)15(19)2/h3-9,14H,10-13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 26115158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).