N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide

C18H19ClN2O3S2 — CID 112789663

IUPACN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H19ClN2O3S2/c1-25-16-7-3-2-6-14(16)18(22)20-13-8-9-15(19)17(12-13)26(23,24)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,20,22)
InChIKeyFGYHGYRIZRSXSS-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.10
Rot. Bonds5

About N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide (PubChem CID 112789663) has the molecular formula C18H19ClN2O3S2 and a molecular weight of 410.95 g/mol. Its IUPAC name is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
PubChem CID112789663
Molecular FormulaC18H19ClN2O3S2
Molecular Weight410.95 g/mol
Exact Mass410.05
IUPAC NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H19ClN2O3S2/c1-25-16-7-3-2-6-14(16)18(22)20-13-8-9-15(19)17(12-13)26(23,24)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,20,22)
InChIKeyFGYHGYRIZRSXSS-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide 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-methylsulfanyl-N-(4-morpholin-4-yl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 2973337
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methoxypyridine-3-carboxamide
CID 39983441
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-ethylsulfanylbenzamide
CID 24624539
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-fluorobenzamide
CID 3363569
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
CID 9103361
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzamide
CID 41118349
N-[3-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]-2-methylbenzamide
CID 46616261
(2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55942709
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 16546118
2-tert-butylsulfanyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 78769070
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 4882272
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 55678464

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide (CID 112789663) is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide?
The InChIKey is FGYHGYRIZRSXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S2/c1-25-16-7-3-2-6-14(16)18(22)20-13-8-9-15(19)17(12-13)26(23,24)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,20,22).
What are the key properties of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide?
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide has a molecular weight of 410.95 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 112789663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).