2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide

C19H21Cl2FN2O3S — CID 78816219

IUPAC2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2FN2O3S/c1-12(2)11-24-28(26,27)18-9-15(16(20)10-17(18)21)19(25)23-7-6-13-4-3-5-14(22)8-13/h3-5,8-10,12,24H,6-7,11H2,1-2H3,(H,23,25)
InChIKeyQKENSPLDCGOVSW-UHFFFAOYSA-N
MW447.36 g/mol
LogP4.04
Rot. Bonds8

About 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide

2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide (PubChem CID 78816219) has the molecular formula C19H21Cl2FN2O3S and a molecular weight of 447.36 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide
PubChem CID78816219
Molecular FormulaC19H21Cl2FN2O3S
Molecular Weight447.36 g/mol
Exact Mass446.06
IUPAC Name2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide
SMILESCC(C)CNS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C19H21Cl2FN2O3S/c1-12(2)11-24-28(26,27)18-9-15(16(20)10-17(18)21)19(25)23-7-6-13-4-3-5-14(22)8-13/h3-5,8-10,12,24H,6-7,11H2,1-2H3,(H,23,25)
InChIKeyQKENSPLDCGOVSW-UHFFFAOYSA-N
XLogP4.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 35425596
4-chloro-N-[2-(3-fluorophenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81226046
2,5-dichloro-N-[2-(3-fluorophenyl)ethyl]thiophene-3-carboxamide
CID 78812511
2,4-dichloro-5-(2-methylpropylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78785955
2,4-dichloro-N-(3-methylphenyl)-5-(2-methylpropylsulfamoyl)benzamide
CID 78782572
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide (CID 78816219) is 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide is CC(C)CNS(=O)(=O)c1cc(C(=O)NCCc2cccc(F)c2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is QKENSPLDCGOVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2FN2O3S/c1-12(2)11-24-28(26,27)18-9-15(16(20)10-17(18)21)19(25)23-7-6-13-4-3-5-14(22)8-13/h3-5,8-10,12,24H,6-7,11H2,1-2H3,(H,23,25).
What are the key properties of 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide?
2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 447.36 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(3-fluorophenyl)ethyl]-5-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 78816219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).