N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide

C25H32ClN3O3S — CID 46349295

IUPACN-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2S(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C25H32ClN3O3S/c1-18-9-13-28(14-10-18)23-8-7-20(25(30)27-22-6-4-3-5-21(22)26)17-24(23)33(31,32)29-15-11-19(2)12-16-29/h3-8,17-19H,9-16H2,1-2H3,(H,27,30)
InChIKeyAPIJWAPWKWUURD-UHFFFAOYSA-N
MW490.07 g/mol
LogP5.25
Rot. Bonds5

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

N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 46349295) has the molecular formula C25H32ClN3O3S and a molecular weight of 490.07 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID46349295
Molecular FormulaC25H32ClN3O3S
Molecular Weight490.07 g/mol
Exact Mass489.19
IUPAC NameN-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2S(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C25H32ClN3O3S/c1-18-9-13-28(14-10-18)23-8-7-20(25(30)27-22-6-4-3-5-21(22)26)17-24(23)33(31,32)29-15-11-19(2)12-16-29/h3-8,17-19H,9-16H2,1-2H3,(H,27,30)
InChIKeyAPIJWAPWKWUURD-UHFFFAOYSA-N
XLogP5.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.07
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349313
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 92874906
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 46349317
2-[[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoic acid
CID 23795276
methyl 2-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 46349228
N-(3-methoxypropyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349335
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 46349331
N-(3-acetamido-2-methylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24673353
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
N-(3,5-dichlorophenyl)-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4075000
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908
N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27873551

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 46349295) is N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCN(c2ccc(C(=O)Nc3ccccc3Cl)cc2S(=O)(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is APIJWAPWKWUURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3S/c1-18-9-13-28(14-10-18)23-8-7-20(25(30)27-22-6-4-3-5-21(22)26)17-24(23)33(31,32)29-15-11-19(2)12-16-29/h3-8,17-19H,9-16H2,1-2H3,(H,27,30).
What are the key properties of N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 490.07 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 46349295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).