3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide

C18H21FN2O3S — CID 109065341

IUPAC3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O3S/c1-13(2)9-10-20-18(22)14-5-3-8-17(11-14)25(23,24)21-16-7-4-6-15(19)12-16/h3-8,11-13,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyAKWICPQDAMBKBQ-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.40
Rot. Bonds7

About 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide

3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide (PubChem CID 109065341) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
PubChem CID109065341
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O3S/c1-13(2)9-10-20-18(22)14-5-3-8-17(11-14)25(23,24)21-16-7-4-6-15(19)12-16/h3-8,11-13,21H,9-10H2,1-2H3,(H,20,22)
InChIKeyAKWICPQDAMBKBQ-UHFFFAOYSA-N
XLogP3.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
N-(3-methylbutyl)-3-[(4-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109065328
3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065339
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 17480198
N-(4-methylpentyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 32628667
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylbutyl)benzamide
CID 30686518
N-(3-methylbutyl)-3-(pentylsulfamoyl)benzamide
CID 109065314
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
N-[2-(dimethylamino)ethyl]-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109060108
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
The IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide (CID 109065341) is 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
The canonical SMILES for 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide is CC(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
The InChIKey is AKWICPQDAMBKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13(2)9-10-20-18(22)14-5-3-8-17(11-14)25(23,24)21-16-7-4-6-15(19)12-16/h3-8,11-13,21H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide?
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide has a molecular weight of 364.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfamoyl]-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 109065341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).