(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide

C25H23Cl4N3O5S2 — CID 99665675

IUPAC(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C25H23Cl4N3O5S2/c26-18-4-10-24(23(29)13-18)31-39(36,37)20-7-5-19(6-8-20)30-25(33)17-2-1-11-32(14-17)38(34,35)15-16-3-9-21(27)22(28)12-16/h3-10,12-13,17,31H,1-2,11,14-15H2,(H,30,33)/t17-/m1/s1
InChIKeyFQZMRYHWKPRHDO-QGZVFWFLSA-N
MW651.42 g/mol
LogP6.28
Rot. Bonds8

About (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 99665675) has the molecular formula C25H23Cl4N3O5S2 and a molecular weight of 651.42 g/mol. Its IUPAC name is (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
PubChem CID99665675
Molecular FormulaC25H23Cl4N3O5S2
Molecular Weight651.42 g/mol
Exact Mass648.98
IUPAC Name(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C25H23Cl4N3O5S2/c26-18-4-10-24(23(29)13-18)31-39(36,37)20-7-5-19(6-8-20)30-25(33)17-2-1-11-32(14-17)38(34,35)15-16-3-9-21(27)22(28)12-16/h3-10,12-13,17,31H,1-2,11,14-15H2,(H,30,33)/t17-/m1/s1
InChIKeyFQZMRYHWKPRHDO-QGZVFWFLSA-N
XLogP6.28
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.42
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 98055283
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 98054329
(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 94864234
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(phenylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 98054531
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99665851
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 92641729
(3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 99667016
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641906
1-[(4-chlorophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 50810945
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99667195
1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 50808955

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide (CID 99665675) is (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is FQZMRYHWKPRHDO-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23Cl4N3O5S2/c26-18-4-10-24(23(29)13-18)31-39(36,37)20-7-5-19(6-8-20)30-25(33)17-2-1-11-32(14-17)38(34,35)15-16-3-9-21(27)22(28)12-16/h3-10,12-13,17,31H,1-2,11,14-15H2,(H,30,33)/t17-/m1/s1.
What are the key properties of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 651.42 g/mol, XLogP of 6.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 99665675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).