N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide

C22H21ClN2O3S2 — CID 55722334

IUPACN-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCCC2c2ccsc2)c1
InChIInChI=1S/C22H21ClN2O3S2/c1-24(19-7-3-6-18(23)14-19)30(27,28)20-8-2-5-16(13-20)22(26)25-11-4-9-21(25)17-10-12-29-15-17/h2-3,5-8,10,12-15,21H,4,9,11H2,1H3
InChIKeyNQIFPHDIKDZCRM-UHFFFAOYSA-N
MW461.01 g/mol
LogP5.20
Rot. Bonds5

About N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide

N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 55722334) has the molecular formula C22H21ClN2O3S2 and a molecular weight of 461.01 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID55722334
Molecular FormulaC22H21ClN2O3S2
Molecular Weight461.01 g/mol
Exact Mass460.07
IUPAC NameN-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCCC2c2ccsc2)c1
InChIInChI=1S/C22H21ClN2O3S2/c1-24(19-7-3-6-18(23)14-19)30(27,28)20-8-2-5-16(13-20)22(26)25-11-4-9-21(25)17-10-12-29-15-17/h2-3,5-8,10,12-15,21H,4,9,11H2,1H3
InChIKeyNQIFPHDIKDZCRM-UHFFFAOYSA-N
XLogP5.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.01
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide 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

(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
N-methyl-N-phenyl-3-[(2S)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 34477512
N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55722221
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
methyl (3R)-2-[3-[(3-chlorophenyl)-methylsulfamoyl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 40842914
[3-(methylsulfinylmethyl)phenyl]-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 71941539
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
(4-propan-2-ylsulfonylphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55776937
(3-chloro-4,5-dimethoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 55714352
N-ethyl-3-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 55530086
3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 40854673

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 55722334) is N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N2CCCC2c2ccsc2)c1.
What is the InChIKey of N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is NQIFPHDIKDZCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S2/c1-24(19-7-3-6-18(23)14-19)30(27,28)20-8-2-5-16(13-20)22(26)25-11-4-9-21(25)17-10-12-29-15-17/h2-3,5-8,10,12-15,21H,4,9,11H2,1H3.
What are the key properties of N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 461.01 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-methyl-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55722334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).