2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

C19H22ClN3O4S — CID 91904290

IUPAC2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1Cl
InChIInChI=1S/C19H22ClN3O4S/c1-13-6-7-15(11-17(13)20)28(25,26)23-10-8-14(12-23)27-18-16(5-4-9-21-18)19(24)22(2)3/h4-7,9,11,14H,8,10,12H2,1-3H3
InChIKeyNOHPBMMYAGTBSN-UHFFFAOYSA-N
MW423.92 g/mol
LogP2.59
Rot. Bonds5

About 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide

2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 91904290) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID91904290
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC Name2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1Cl
InChIInChI=1S/C19H22ClN3O4S/c1-13-6-7-15(11-17(13)20)28(25,26)23-10-8-14(12-23)27-18-16(5-4-9-21-18)19(24)22(2)3/h4-7,9,11,14H,8,10,12H2,1-3H3
InChIKeyNOHPBMMYAGTBSN-UHFFFAOYSA-N
XLogP2.59
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide (CID 91904290) is 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C(=O)N(C)C)C2)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is NOHPBMMYAGTBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-13-6-7-15(11-17(13)20)28(25,26)23-10-8-14(12-23)27-18-16(5-4-9-21-18)19(24)22(2)3/h4-7,9,11,14H,8,10,12H2,1-3H3.
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 423.92 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91904290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).