N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide

C19H23FN2O3S — CID 109064999

IUPACN-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C19H23FN2O3S/c1-19(2,3)22-18(23)15-5-4-6-17(13-15)26(24,25)21-12-11-14-7-9-16(20)10-8-14/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyPLHQJXZNBAIICJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.88
Rot. Bonds6

About N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide

N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide (PubChem CID 109064999) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide
PubChem CID109064999
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C19H23FN2O3S/c1-19(2,3)22-18(23)15-5-4-6-17(13-15)26(24,25)21-12-11-14-7-9-16(20)10-8-14/h4-10,13,21H,11-12H2,1-3H3,(H,22,23)
InChIKeyPLHQJXZNBAIICJ-UHFFFAOYSA-N
XLogP2.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]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-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109065003
N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062677
N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109065045
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698
N-(3-fluorophenyl)-3-(2-phenylethylsulfamoyl)benzamide
CID 109064976
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
N-[2-(4-fluorophenyl)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427630
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132
3-[(4-fluorophenyl)methylsulfamoyl]-N-propan-2-ylbenzamide
CID 109062141
4-acetyl-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7510309
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide?
The IUPAC name of N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide (CID 109064999) is N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide?
The canonical SMILES for N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide is CC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide?
The InChIKey is PLHQJXZNBAIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-19(2,3)22-18(23)15-5-4-6-17(13-15)26(24,25)21-12-11-14-7-9-16(20)10-8-14/h4-10,13,21H,11-12H2,1-3H3,(H,22,23).
What are the key properties of N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide?
N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide has a molecular weight of 378.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide is sourced from PubChem (CID 109064999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).