3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide

C17H18FNO4S — CID 87012644

IUPAC3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-19(17(20)12-5-13-3-6-14(18)7-4-13)24(21,22)16-10-8-15(23-2)9-11-16/h3-4,6-11H,5,12H2,1-2H3
InChIKeyHRXOZKXNGFPTJN-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.61
Rot. Bonds6

About 3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide

3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide (PubChem CID 87012644) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide
PubChem CID87012644
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(=O)CCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-19(17(20)12-5-13-3-6-14(18)7-4-13)24(21,22)16-10-8-15(23-2)9-11-16/h3-4,6-11H,5,12H2,1-2H3
InChIKeyHRXOZKXNGFPTJN-UHFFFAOYSA-N
XLogP2.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-4-methoxyanilino)-N,N-dimethylacetamide
CID 126346209
N-[4-(dimethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 2440554
N-[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 171152815
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100794413
N-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 35766206
3-[4-(dimethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 28557399
N,N-diethyl-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 3971622
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30249385
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2865069

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide (CID 87012644) is 3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide is COc1ccc(S(=O)(=O)N(C)C(=O)CCc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide?
The InChIKey is HRXOZKXNGFPTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-19(17(20)12-5-13-3-6-14(18)7-4-13)24(21,22)16-10-8-15(23-2)9-11-16/h3-4,6-11H,5,12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide?
3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide has a molecular weight of 351.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)sulfonyl-N-methylpropanamide is sourced from PubChem (CID 87012644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).