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

C17H17ClFNO3S — CID 34314546

IUPAC3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C17H17ClFNO3S/c1-12-2-3-13(10-16(12)19)11-20-17(21)8-9-24(22,23)15-6-4-14(18)5-7-15/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyWHWXMWCQUOUZRB-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.27
Rot. Bonds6

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

3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide (PubChem CID 34314546) has the molecular formula C17H17ClFNO3S and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
PubChem CID34314546
Molecular FormulaC17H17ClFNO3S
Molecular Weight369.85 g/mol
Exact Mass369.06
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1F
InChIInChI=1S/C17H17ClFNO3S/c1-12-2-3-13(10-16(12)19)11-20-17(21)8-9-24(22,23)15-6-4-14(18)5-7-15/h2-7,10H,8-9,11H2,1H3,(H,20,21)
InChIKeyWHWXMWCQUOUZRB-UHFFFAOYSA-N
XLogP3.27
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298420
3-(ethylamino)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 62833982
6-amino-N-[(3-fluoro-4-methylphenyl)methyl]hexanamide
CID 43471392
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
N-[2-(4-chlorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 9171522
N-[(3-fluoro-4-methylphenyl)methyl]-2-(methylamino)acetamide
CID 43388450
3-(4-chlorophenyl)sulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 55795719
N-[4-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 34316547
N-[(3-fluoro-4-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 34314674
N-[2-(4-fluorophenyl)ethyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 9391675
N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 40712158
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide (CID 34314546) is 3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1F.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
The InChIKey is WHWXMWCQUOUZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3S/c1-12-2-3-13(10-16(12)19)11-20-17(21)8-9-24(22,23)15-6-4-14(18)5-7-15/h2-7,10H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide?
3-(4-chlorophenyl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]propanamide has a molecular weight of 369.85 g/mol, XLogP of 3.27, 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-[(3-fluoro-4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 34314546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).