N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide

C19H22ClNO3S — CID 2477289

IUPACN-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
SMILESCCCCc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-2-3-4-15-5-9-17(10-6-15)21-19(22)13-14-25(23,24)18-11-7-16(20)8-12-18/h5-12H,2-4,13-14H2,1H3,(H,21,22)
InChIKeyVFSSZQFNJOYWLF-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.49
Rot. Bonds8

About N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide

N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide (PubChem CID 2477289) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
PubChem CID2477289
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC NameN-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
SMILESCCCCc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3S/c1-2-3-4-15-5-9-17(10-6-15)21-19(22)13-14-25(23,24)18-11-7-16(20)8-12-18/h5-12H,2-4,13-14H2,1H3,(H,21,22)
InChIKeyVFSSZQFNJOYWLF-UHFFFAOYSA-N
XLogP4.49
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-3-methylsulfonylpropanamide
CID 127504583
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
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3-(4-chlorophenyl)sulfonyl-N-(4-nitrophenyl)propanamide
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3-(4-chlorophenyl)sulfonyl-N-(4-cyanophenyl)propanamide
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3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
N-(4-chlorophenyl)tridecanamide
CID 4195215
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
[2-(4-chloroanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate
CID 17260548
3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide
CID 18076703
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide (CID 2477289) is N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide is CCCCc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
The InChIKey is VFSSZQFNJOYWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-2-3-4-15-5-9-17(10-6-15)21-19(22)13-14-25(23,24)18-11-7-16(20)8-12-18/h5-12H,2-4,13-14H2,1H3,(H,21,22).
What are the key properties of N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide has a molecular weight of 379.91 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 2477289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).