(3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C20H24Cl2N4O5S2 — CID 99939714

IUPAC(3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1
InChIInChI=1S/C20H24Cl2N4O5S2/c1-25(2)33(30,31)26-9-3-4-14(13-26)20(27)23-17-5-7-19(8-6-17)32(28,29)24-18-11-15(21)10-16(22)12-18/h5-8,10-12,14,24H,3-4,9,13H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyOTONCVWEKHEUDJ-CQSZACIVSA-N
MW535.48 g/mol
LogP3.25
Rot. Bonds7

About (3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

(3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 99939714) has the molecular formula C20H24Cl2N4O5S2 and a molecular weight of 535.48 g/mol. Its IUPAC name is (3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID99939714
Molecular FormulaC20H24Cl2N4O5S2
Molecular Weight535.48 g/mol
Exact Mass534.06
IUPAC Name(3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1
InChIInChI=1S/C20H24Cl2N4O5S2/c1-25(2)33(30,31)26-9-3-4-14(13-26)20(27)23-17-5-7-19(8-6-17)32(28,29)24-18-11-15(21)10-16(22)12-18/h5-8,10-12,14,24H,3-4,9,13H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyOTONCVWEKHEUDJ-CQSZACIVSA-N
XLogP3.25
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.48
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99665851
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-(4-bromo-3-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43905127
methyl 4-[[(3R)-1-(dimethylsulfamoyl)piperidine-3-carbonyl]amino]benzoate
CID 94011850
N-(3-chloro-4-methoxyphenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 43876123
(3S)-1-(dimethylsulfamoyl)-N-naphthalen-2-ylpiperidine-3-carboxamide
CID 30397988
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
1-(dimethylsulfamoyl)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 43905928
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 99939714) is (3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)C1.
What is the InChIKey of (3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is OTONCVWEKHEUDJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24Cl2N4O5S2/c1-25(2)33(30,31)26-9-3-4-14(13-26)20(27)23-17-5-7-19(8-6-17)32(28,29)24-18-11-15(21)10-16(22)12-18/h5-8,10-12,14,24H,3-4,9,13H2,1-2H3,(H,23,27)/t14-/m1/s1.
What are the key properties of (3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
(3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 535.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 99939714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).