4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide

C21H26ClN3O3S — CID 56700074

IUPAC4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-24-13-11-18(12-14-24)23-21(26)16-7-9-19(10-8-16)25(29(2,27)28)15-17-5-3-4-6-20(17)22/h3-10,18H,11-15H2,1-2H3,(H,23,26)
InChIKeyLXCJOSDLMKOXBO-UHFFFAOYSA-N
MW435.98 g/mol
LogP3.13
Rot. Bonds6

About 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide

4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 56700074) has the molecular formula C21H26ClN3O3S and a molecular weight of 435.98 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID56700074
Molecular FormulaC21H26ClN3O3S
Molecular Weight435.98 g/mol
Exact Mass435.14
IUPAC Name4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C21H26ClN3O3S/c1-24-13-11-18(12-14-24)23-21(26)16-7-9-19(10-8-16)25(29(2,27)28)15-17-5-3-4-6-20(17)22/h3-10,18H,11-15H2,1-2H3,(H,23,26)
InChIKeyLXCJOSDLMKOXBO-UHFFFAOYSA-N
XLogP3.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.98
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1231482
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43886405
N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 53280013
N-cyclohexyl-4-[(2-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282659
N-[(1-acetylpyrrolidin-2-yl)methyl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69183001
4-[(2-chlorophenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 56919566
N-[(2R)-butan-2-yl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1312128
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278671
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100564011
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
CID 1311662
4-[ethyl(ethylsulfonyl)amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 50945980

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide (CID 56700074) is 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is LXCJOSDLMKOXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3S/c1-24-13-11-18(12-14-24)23-21(26)16-7-9-19(10-8-16)25(29(2,27)28)15-17-5-3-4-6-20(17)22/h3-10,18H,11-15H2,1-2H3,(H,23,26).
What are the key properties of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide?
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 435.98 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 56700074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).