(3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide

C26H26Cl3N3O5S2 — CID 99667016

IUPAC(3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1
InChIInChI=1S/C26H26Cl3N3O5S2/c1-17-22(27)6-3-9-25(17)31-39(36,37)20-12-10-19(11-13-20)30-26(33)18-5-4-14-32(15-18)38(34,35)16-21-23(28)7-2-8-24(21)29/h2-3,6-13,18,31H,4-5,14-16H2,1H3,(H,30,33)/t18-/m1/s1
InChIKeyQUYFLXLAAUTYLW-GOSISDBHSA-N
MW631.00 g/mol
LogP5.94
Rot. Bonds8

About (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide

(3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide (PubChem CID 99667016) has the molecular formula C26H26Cl3N3O5S2 and a molecular weight of 631.00 g/mol. Its IUPAC name is (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
PubChem CID99667016
Molecular FormulaC26H26Cl3N3O5S2
Molecular Weight631.00 g/mol
Exact Mass629.04
IUPAC Name(3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1
InChIInChI=1S/C26H26Cl3N3O5S2/c1-17-22(27)6-3-9-25(17)31-39(36,37)20-12-10-19(11-13-20)30-26(33)18-5-4-14-32(15-18)38(34,35)16-21-23(28)7-2-8-24(21)29/h2-3,6-13,18,31H,4-5,14-16H2,1H3,(H,30,33)/t18-/m1/s1
InChIKeyQUYFLXLAAUTYLW-GOSISDBHSA-N
XLogP5.94
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.00
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 98054801
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99665851
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99667195
(3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98054406
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 100504416
1-[(3-bromophenyl)methylsulfonyl]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 99956141
N-(3-chloro-2-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50811103
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94013191
(3R)-N-(3-chloro-2-methylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 1081678
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99665675
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(phenylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 98054531

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide (CID 99667016) is (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cc1.
What is the InChIKey of (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The InChIKey is QUYFLXLAAUTYLW-GOSISDBHSA-N. The full InChI is InChI=1S/C26H26Cl3N3O5S2/c1-17-22(27)6-3-9-25(17)31-39(36,37)20-12-10-19(11-13-20)30-26(33)18-5-4-14-32(15-18)38(34,35)16-21-23(28)7-2-8-24(21)29/h2-3,6-13,18,31H,4-5,14-16H2,1H3,(H,30,33)/t18-/m1/s1.
What are the key properties of (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
(3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide has a molecular weight of 631.00 g/mol, XLogP of 5.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-1-[(2,6-dichlorophenyl)methylsulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 99667016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).