3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide

C19H23ClN2O3S — CID 110424776

IUPAC3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-22(4-2)16-11-9-15(10-12-16)21-19(23)13-14-26(24,25)18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyZNRIJKIDNIKEFA-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.99
Rot. Bonds8

About 3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide

3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide (PubChem CID 110424776) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide
PubChem CID110424776
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O3S/c1-3-22(4-2)16-11-9-15(10-12-16)21-19(23)13-14-26(24,25)18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyZNRIJKIDNIKEFA-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.99
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

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2-[4-(diethylamino)anilino]-N-phenylacetamide
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2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
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N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
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N-[4-(diethylamino)phenyl]undecanamide
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N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide (CID 110424776) is 3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide is CCN(CC)c1ccc(NC(=O)CCS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide?
The InChIKey is ZNRIJKIDNIKEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-3-22(4-2)16-11-9-15(10-12-16)21-19(23)13-14-26(24,25)18-8-6-5-7-17(18)20/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide?
3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide has a molecular weight of 394.92 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide is sourced from PubChem (CID 110424776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).