3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide

C17H18ClNO3S — CID 2265248

IUPAC3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-13-2-4-14(5-3-13)12-19-17(20)10-11-23(21,22)16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyUMPUVEGLKHHKDN-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.13
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide

3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 2265248) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
PubChem CID2265248
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO3S/c1-13-2-4-14(5-3-13)12-19-17(20)10-11-23(21,22)16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyUMPUVEGLKHHKDN-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide (CID 2265248) is 3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is UMPUVEGLKHHKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-13-2-4-14(5-3-13)12-19-17(20)10-11-23(21,22)16-8-6-15(18)7-9-16/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 351.86 g/mol, XLogP of 3.13, 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-methylphenyl)methyl]propanamide is sourced from PubChem (CID 2265248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).