3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide

C19H23FN2O3S — CID 25035469

IUPAC3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-5-13-6-9-15(10-7-13)21-18(23)14-8-11-16(20)17(12-14)26(24,25)22-19(2,3)4/h6-12,22H,5H2,1-4H3,(H,21,23)
InChIKeyIKIJXHMCBZWHSI-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.72
Rot. Bonds5

About 3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide

3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide (PubChem CID 25035469) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide.

Molecular Properties

Compound Name3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
PubChem CID25035469
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
SMILESCCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-5-13-6-9-15(10-7-13)21-18(23)14-8-11-16(20)17(12-14)26(24,25)22-19(2,3)4/h6-12,22H,5H2,1-4H3,(H,21,23)
InChIKeyIKIJXHMCBZWHSI-UHFFFAOYSA-N
XLogP3.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 4229680
3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
CID 47165468
4-amino-N-(4-ethylphenyl)-3-fluorobenzamide
CID 62678871
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-3-(tert-butylsulfamoyl)-4-fluorobenzamide
CID 146147261
3-(tert-butylsulfamoyl)-N-(3-fluoro-4-methylphenyl)-4-methoxybenzamide
CID 34227801
N-[4-(tert-butylamino)phenyl]-3,4-difluorobenzamide
CID 112984906
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003
4-(tert-butylamino)-3-(tert-butylsulfamoyl)-N-(4-chloro-2-fluorophenyl)benzamide
CID 4800517
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
4-fluoro-3-[(4-methylphenyl)methylsulfamoyl]-N-(4-phenoxyphenyl)benzamide
CID 3407821
N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide
CID 46603735

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide?
The IUPAC name of 3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide (CID 25035469) is 3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide.
What is the SMILES notation for 3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide?
The canonical SMILES for 3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide is CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)cc1.
What is the InChIKey of 3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide?
The InChIKey is IKIJXHMCBZWHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-5-13-6-9-15(10-7-13)21-18(23)14-8-11-16(20)17(12-14)26(24,25)22-19(2,3)4/h6-12,22H,5H2,1-4H3,(H,21,23).
What are the key properties of 3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide?
3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide has a molecular weight of 378.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide is sourced from PubChem (CID 25035469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).