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

C27H29Cl2N3O6S2 — CID 98055283

IUPAC(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)cc2)cc1
InChIInChI=1S/C27H29Cl2N3O6S2/c1-2-38-23-10-6-22(7-11-23)31-40(36,37)24-12-8-21(9-13-24)30-27(33)20-4-3-15-32(17-20)39(34,35)18-19-5-14-25(28)26(29)16-19/h5-14,16,20,31H,2-4,15,17-18H2,1H3,(H,30,33)/t20-/m1/s1
InChIKeyPYWYKVIQEADCRV-HXUWFJFHSA-N
MW626.58 g/mol
LogP5.37
Rot. Bonds10

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

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide (PubChem CID 98055283) has the molecular formula C27H29Cl2N3O6S2 and a molecular weight of 626.58 g/mol. Its IUPAC name is (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
PubChem CID98055283
Molecular FormulaC27H29Cl2N3O6S2
Molecular Weight626.58 g/mol
Exact Mass625.09
IUPAC Name(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)cc2)cc1
InChIInChI=1S/C27H29Cl2N3O6S2/c1-2-38-23-10-6-22(7-11-23)31-40(36,37)24-12-8-21(9-13-24)30-27(33)20-4-3-15-32(17-20)39(34,35)18-19-5-14-25(28)26(29)16-19/h5-14,16,20,31H,2-4,15,17-18H2,1H3,(H,30,33)/t20-/m1/s1
InChIKeyPYWYKVIQEADCRV-HXUWFJFHSA-N
XLogP5.37
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.58
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(diethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 98054329
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99665675
(3S)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 92674116
(3R)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99665851
N-(4-ethoxyphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50808871
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 99667195
(3S)-1-[(2,6-dichlorophenyl)methylsulfonyl]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide
CID 98054801
(3R)-1-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 41302469
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[4-(phenylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 98054531
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 92641729
1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 43885429

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide (CID 98055283) is (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(S(=O)(=O)Cc4ccc(Cl)c(Cl)c4)C3)cc2)cc1.
What is the InChIKey of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
The InChIKey is PYWYKVIQEADCRV-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H29Cl2N3O6S2/c1-2-38-23-10-6-22(7-11-23)31-40(36,37)24-12-8-21(9-13-24)30-27(33)20-4-3-15-32(17-20)39(34,35)18-19-5-14-25(28)26(29)16-19/h5-14,16,20,31H,2-4,15,17-18H2,1H3,(H,30,33)/t20-/m1/s1.
What are the key properties of (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide?
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide has a molecular weight of 626.58 g/mol, XLogP of 5.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 98055283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).