2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide

C21H25ClN2O4S — CID 46637688

IUPAC2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-4-28-17-10-7-15(8-11-17)19-6-5-13-24(19)21(25)16-9-12-18(22)20(14-16)29(26,27)23(2)3/h7-12,14,19H,4-6,13H2,1-3H3
InChIKeyJODHLFRDVNLGRW-UHFFFAOYSA-N
MW436.96 g/mol
LogP3.97
Rot. Bonds6

About 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide

2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 46637688) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
PubChem CID46637688
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(C2CCCN2C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-4-28-17-10-7-15(8-11-17)19-6-5-13-24(19)21(25)16-9-12-18(22)20(14-16)29(26,27)23(2)3/h7-12,14,19H,4-6,13H2,1-3H3
InChIKeyJODHLFRDVNLGRW-UHFFFAOYSA-N
XLogP3.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide 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

2-methoxy-N,N-dimethyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 55551505
(7-chloro-1,3-benzodioxol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55396105
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 51926331
[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(4-ethoxyphenyl)methanone
CID 25491169
(3-bromo-4-methoxyphenyl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46421562
[4-(diethylaminomethyl)phenyl]-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 55667905
4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-sulfonamide
CID 51270971
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 51257049
ethyl 1-[4-chloro-3-(dimethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46418772
4-chloro-N-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 46637705
[4-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]urea
CID 46699396
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide (CID 46637688) is 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide is CCOc1ccc(C2CCCN2C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is JODHLFRDVNLGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-4-28-17-10-7-15(8-11-17)19-6-5-13-24(19)21(25)16-9-12-18(22)20(14-16)29(26,27)23(2)3/h7-12,14,19H,4-6,13H2,1-3H3.
What are the key properties of 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 436.96 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 46637688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).