3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide

C15H14ClFN2O3S — CID 147765273

IUPAC3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O3S/c16-13-9-10(1-7-14(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)
InChIKeyHEWGPHJXNCUGOE-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.70
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide

3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 147765273) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID147765273
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H14ClFN2O3S/c16-13-9-10(1-7-14(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)
InChIKeyHEWGPHJXNCUGOE-UHFFFAOYSA-N
XLogP2.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 160701153
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
N-(4-iodophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24641005
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
CID 41483845
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 24681104
1-(4-chloro-3-fluorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116721
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839907
N-(1,3-benzodioxol-5-yl)-3-(4-sulfamoylphenyl)propanamide
CID 27648509

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide (CID 147765273) is 3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is HEWGPHJXNCUGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c16-13-9-10(1-7-14(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-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide?
3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 356.81 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 147765273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).