3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide

C19H21ClN2O3S — CID 110424864

IUPAC3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1cccc(Cl)c1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c20-15-4-3-5-18(14-15)26(24,25)13-10-19(23)21-16-6-8-17(9-7-16)22-11-1-2-12-22/h3-9,14H,1-2,10-13H2,(H,21,23)
InChIKeyKMTQCAYNTGGXEC-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.74
Rot. Bonds6

About 3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 110424864) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID110424864
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESO=C(CCS(=O)(=O)c1cccc(Cl)c1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H21ClN2O3S/c20-15-4-3-5-18(14-15)26(24,25)13-10-19(23)21-16-6-8-17(9-7-16)22-11-1-2-12-22/h3-9,14H,1-2,10-13H2,(H,21,23)
InChIKeyKMTQCAYNTGGXEC-UHFFFAOYSA-N
XLogP3.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110624241
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510895
2-(benzenesulfonyl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 4596496
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
CID 110620805
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509312
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502499
3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557578

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 110424864) is 3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide is O=C(CCS(=O)(=O)c1cccc(Cl)c1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is KMTQCAYNTGGXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-15-4-3-5-18(14-15)26(24,25)13-10-19(23)21-16-6-8-17(9-7-16)22-11-1-2-12-22/h3-9,14H,1-2,10-13H2,(H,21,23).
What are the key properties of 3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 392.91 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 110424864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).