3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

C19H21ClN2O3S — CID 24554825

IUPAC3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H21ClN2O3S/c20-16-9-6-15(7-10-16)8-11-19(23)21-17-4-3-5-18(14-17)26(24,25)22-12-1-2-13-22/h3-7,9-10,14H,1-2,8,11-13H2,(H,21,23)
InChIKeyMKDBBCWZXLQZEH-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.70
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide

3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 24554825) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID24554825
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H21ClN2O3S/c20-16-9-6-15(7-10-16)8-11-19(23)21-17-4-3-5-18(14-17)26(24,25)22-12-1-2-13-22/h3-7,9-10,14H,1-2,8,11-13H2,(H,21,23)
InChIKeyMKDBBCWZXLQZEH-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 41484446
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110312103
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
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3-phenyl-N-[(3-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]propanamide
CID 2962070
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylpropanoate
CID 7654688
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 29203618
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-(2,4-dichlorophenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4798258
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 24554825) is 3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is MKDBBCWZXLQZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-16-9-6-15(7-10-16)8-11-19(23)21-17-4-3-5-18(14-17)26(24,25)22-12-1-2-13-22/h3-7,9-10,14H,1-2,8,11-13H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide?
3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 392.91 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 24554825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).