2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C21H25ClN2O3S — CID 28591343

IUPAC2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-15-3-5-17(6-4-15)14-23-21(25)19-13-18(7-8-20(19)22)28(26,27)24-11-9-16(2)10-12-24/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyUQGPCKDCFXXTPR-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.00
Rot. Bonds5

About 2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 28591343) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID28591343
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-15-3-5-17(6-4-15)14-23-21(25)19-13-18(7-8-20(19)22)28(26,27)24-11-9-16(2)10-12-24/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,25)
InChIKeyUQGPCKDCFXXTPR-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 34852311
Isomerase, glucose
CID 1151718
2,4-dichloro-N-cyclohexyl-5-sulfamoylbenzamide
CID 60635034
N-benzyl-2,4-dichloro-5-sulfamoylbenzamide
CID 126507182
N-benzyl-3-piperidin-1-ylsulfonylbenzamide
CID 1076673
4-[4-(2-Chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide
CID 155937511
N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 2127096
N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
CID 155522855
N-[[4-[[(3-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-4-fluorobenzamide
CID 155529361
3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984480
3-chloro-4-fluoro-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 984858
4-chloro-3-piperidin-1-ylsulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2531912

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of 2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 28591343) is 2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is UQGPCKDCFXXTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-15-3-5-17(6-4-15)14-23-21(25)19-13-18(7-8-20(19)22)28(26,27)24-11-9-16(2)10-12-24/h3-8,13,16H,9-12,14H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 420.96 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 28591343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).