3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide

C15H14F2N2O3S — CID 160701153

IUPAC3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H14F2N2O3S/c16-13-7-1-10(9-14(13)17)2-8-15(20)19-11-3-5-12(6-4-11)23(18,21)22/h1,3-7,9H,2,8H2,(H,19,20)(H2,18,21,22)
InChIKeyRQQBITVLULUAEW-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.18
Rot. Bonds5

About 3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide

3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 160701153) has the molecular formula C15H14F2N2O3S and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID160701153
Molecular FormulaC15H14F2N2O3S
Molecular Weight340.35 g/mol
Exact Mass340.07
IUPAC Name3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H14F2N2O3S/c16-13-7-1-10(9-14(13)17)2-8-15(20)19-11-3-5-12(6-4-11)23(18,21)22/h1,3-7,9H,2,8H2,(H,19,20)(H2,18,21,22)
InChIKeyRQQBITVLULUAEW-UHFFFAOYSA-N
XLogP2.18
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 147765273
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
N-(4-iodophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24641005
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
N-(3,4-difluorophenyl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557411
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
CID 27648509
3-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)propanamide
CID 39089275
N-(5-acetamido-2-fluorophenyl)-3-(3,4-difluorophenyl)propanamide
CID 46686963
3-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)propanamide
CID 18195960

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide (CID 160701153) is 3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is RQQBITVLULUAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3S/c16-13-7-1-10(9-14(13)17)2-8-15(20)19-11-3-5-12(6-4-11)23(18,21)22/h1,3-7,9H,2,8H2,(H,19,20)(H2,18,21,22).
What are the key properties of 3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide?
3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 340.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 160701153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).