N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide

C20H24ClN3O5S2 — CID 46489197

IUPACN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O5S2/c1-14-8-9-17(22-20(25)15-5-4-10-24(13-15)30(2,26)27)12-19(14)31(28,29)23-18-7-3-6-16(21)11-18/h3,6-9,11-12,15,23H,4-5,10,13H2,1-2H3,(H,22,25)
InChIKeyFBBPDTBRXZVNQU-UHFFFAOYSA-N
MW486.02 g/mol
LogP3.06
Rot. Bonds6

About N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 46489197) has the molecular formula C20H24ClN3O5S2 and a molecular weight of 486.02 g/mol. Its IUPAC name is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID46489197
Molecular FormulaC20H24ClN3O5S2
Molecular Weight486.02 g/mol
Exact Mass485.08
IUPAC NameN-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O5S2/c1-14-8-9-17(22-20(25)15-5-4-10-24(13-15)30(2,26)27)12-19(14)31(28,29)23-18-7-3-6-16(21)11-18/h3,6-9,11-12,15,23H,4-5,10,13H2,1-2H3,(H,22,25)
InChIKeyFBBPDTBRXZVNQU-UHFFFAOYSA-N
XLogP3.06
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.02
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39899026
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
CID 119675111
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263693
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 126395837
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
1-butanoyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 55914431
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396495
N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55766233
(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258371
(3S)-N-(3-bromo-4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 146337072
(3S)-N-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 2235300

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 46489197) is N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1S(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is FBBPDTBRXZVNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S2/c1-14-8-9-17(22-20(25)15-5-4-10-24(13-15)30(2,26)27)12-19(14)31(28,29)23-18-7-3-6-16(21)11-18/h3,6-9,11-12,15,23H,4-5,10,13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 486.02 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46489197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).