3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide

C17H18ClNO3S — CID 3423814

IUPAC3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-2-13-3-7-15(8-4-13)19-17(20)11-12-23(21,22)16-9-5-14(18)6-10-16/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyPXUKBBXYWPASHD-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.70
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide (PubChem CID 3423814) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide
PubChem CID3423814
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-2-13-3-7-15(8-4-13)19-17(20)11-12-23(21,22)16-9-5-14(18)6-10-16/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyPXUKBBXYWPASHD-UHFFFAOYSA-N
XLogP3.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(phenylsulfonyl)acetamide
CID 892315
N-(3-methylphenyl)-3-(phenylsulfonyl)propanamide
CID 716755
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 894235
2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
2-(4-chlorophenylsulfonyl)-2-methyl-N-(4-(trifluoromethyl)phenyl)propanamide
CID 44569508
N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71283712
N-[3-chloro-4-(2-chlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285798
N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285820
N-[4-[[benzyl(propyl)amino]methyl]-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738516
N-[4-[[(2-chlorophenyl)methyl-propylamino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738542
N-[4-[[(4-chlorophenyl)methyl-propylamino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738552
N-[4-[[(3-chlorophenyl)methyl-propylamino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738557

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide (CID 3423814) is 3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide?
The InChIKey is PXUKBBXYWPASHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-2-13-3-7-15(8-4-13)19-17(20)11-12-23(21,22)16-9-5-14(18)6-10-16/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(4-ethylphenyl)propanamide has a molecular weight of 351.86 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)sulfonyl-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 3423814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).