3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide

C19H22ClNO3S — CID 18076703

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3S/c1-3-14-6-5-7-15(4-2)19(14)21-18(22)12-13-25(23,24)17-10-8-16(20)9-11-17/h5-11H,3-4,12-13H2,1-2H3,(H,21,22)
InChIKeyYAVMCKZJWLQDDV-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.27
Rot. Bonds7

About 3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide (PubChem CID 18076703) has the molecular formula C19H22ClNO3S and a molecular weight of 379.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide
PubChem CID18076703
Molecular FormulaC19H22ClNO3S
Molecular Weight379.91 g/mol
Exact Mass379.10
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide
SMILESCCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO3S/c1-3-14-6-5-7-15(4-2)19(14)21-18(22)12-13-25(23,24)17-10-8-16(20)9-11-17/h5-11H,3-4,12-13H2,1-2H3,(H,21,22)
InChIKeyYAVMCKZJWLQDDV-UHFFFAOYSA-N
XLogP4.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 2477289
3-(4-chlorophenyl)sulfonyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 16575175
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989
2-(4-chloro-N-methylsulfonylanilino)-N-(2,6-diethylphenyl)acetamide
CID 113154851
3-(4-chlorophenyl)sulfonyl-N-(2-propoxyphenyl)propanamide
CID 26898062
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 2547725
2-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)acetamide
CID 24655866
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952
3-cyclopentylsulfonyl-N-(2,6-diethylphenyl)propanamide
CID 86997629

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide (CID 18076703) is 3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide is CCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide?
The InChIKey is YAVMCKZJWLQDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3S/c1-3-14-6-5-7-15(4-2)19(14)21-18(22)12-13-25(23,24)17-10-8-16(20)9-11-17/h5-11H,3-4,12-13H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide has a molecular weight of 379.91 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide is sourced from PubChem (CID 18076703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).