3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide

C23H30ClN3O4S — CID 55387001

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(C)C)CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H30ClN3O4S/c1-16(2)27-12-10-20(11-13-27)26-23(28)18-6-9-21(31-3)22(14-18)32(29,30)25-15-17-4-7-19(24)8-5-17/h4-9,14,16,20,25H,10-13,15H2,1-3H3,(H,26,28)
InChIKeyPBONYKSUWLGRLO-UHFFFAOYSA-N
MW480.03 g/mol
LogP3.43
Rot. Bonds8

About 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 55387001) has the molecular formula C23H30ClN3O4S and a molecular weight of 480.03 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID55387001
Molecular FormulaC23H30ClN3O4S
Molecular Weight480.03 g/mol
Exact Mass479.16
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C(C)C)CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H30ClN3O4S/c1-16(2)27-12-10-20(11-13-27)26-23(28)18-6-9-21(31-3)22(14-18)32(29,30)25-15-17-4-7-19(24)8-5-17/h4-9,14,16,20,25H,10-13,15H2,1-3H3,(H,26,28)
InChIKeyPBONYKSUWLGRLO-UHFFFAOYSA-N
XLogP3.43
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.03
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
3-(ethylsulfamoyl)-4-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 99968240
N-cyclopropyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 9165579
4-methoxy-3-(2-methoxyethylsulfamoyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855583
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55841887
N-cyclopentyl-4-[[(2-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 9214466
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55584298
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 55408146
3-(benzylsulfamoyl)-4-methoxybenzoic acid
CID 693909

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 55387001) is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide is COc1ccc(C(=O)NC2CCN(C(C)C)CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is PBONYKSUWLGRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O4S/c1-16(2)27-12-10-20(11-13-27)26-23(28)18-6-9-21(31-3)22(14-18)32(29,30)25-15-17-4-7-19(24)8-5-17/h4-9,14,16,20,25H,10-13,15H2,1-3H3,(H,26,28).
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 480.03 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55387001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).