N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C12H14Cl2N2O3S — CID 51240591

IUPACN-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c1-20(18,19)16-7-3-6-10(16)12(17)15-9-5-2-4-8(13)11(9)14/h2,4-5,10H,3,6-7H2,1H3,(H,15,17)
InChIKeyCWVCFCABNUXTTG-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.36
Rot. Bonds3

About N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 51240591) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID51240591
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC NameN-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c1-20(18,19)16-7-3-6-10(16)12(17)15-9-5-2-4-8(13)11(9)14/h2,4-5,10H,3,6-7H2,1H3,(H,15,17)
InChIKeyCWVCFCABNUXTTG-UHFFFAOYSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-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

N-(2-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 45153692
(2S)-N-(3-chloro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40972131
(2R)-N-(2-ethylsulfanylphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94624136
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
(2R)-N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 51684558
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093475
1-methylsulfonyl-N-[3-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 46419731
N-(2-ethyl-6-methylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17463207
(2S)-N-[2-[(2S)-2-[(4-bromophenyl)carbamoyl]pyrrolidin-1-yl]sulfonylphenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 139191952
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-chlorophenyl)pyrrolidine-2-carboxamide
CID 20862295

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 51240591) is N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is CWVCFCABNUXTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-20(18,19)16-7-3-6-10(16)12(17)15-9-5-2-4-8(13)11(9)14/h2,4-5,10H,3,6-7H2,1H3,(H,15,17).
What are the key properties of N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 337.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51240591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).