N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide

C17H17ClFNO5S — CID 9438977

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESCOc1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(OC)cc1Cl
InChIInChI=1S/C17H17ClFNO5S/c1-24-15-10-14(16(25-2)9-13(15)18)20-17(21)7-8-26(22,23)12-5-3-11(19)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyQHSDOVWSKPSMIX-UHFFFAOYSA-N
MW401.84 g/mol
LogP3.30
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide

N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 9438977) has the molecular formula C17H17ClFNO5S and a molecular weight of 401.84 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID9438977
Molecular FormulaC17H17ClFNO5S
Molecular Weight401.84 g/mol
Exact Mass401.05
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESCOc1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(OC)cc1Cl
InChIInChI=1S/C17H17ClFNO5S/c1-24-15-10-14(16(25-2)9-13(15)18)20-17(21)7-8-26(22,23)12-5-3-11(19)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyQHSDOVWSKPSMIX-UHFFFAOYSA-N
XLogP3.30
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-fluorophenoxy)acetamide
CID 8501524
N-(2-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4101953
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 27830039
N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2553216
N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 8702322
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151739
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-cyanophenyl)propanamide
CID 110428380
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100531525
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide (CID 9438977) is N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide is COc1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is QHSDOVWSKPSMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO5S/c1-24-15-10-14(16(25-2)9-13(15)18)20-17(21)7-8-26(22,23)12-5-3-11(19)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide?
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 401.84 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 9438977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).