N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide

C14H21FN2O3S — CID 103465735

IUPACN-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H21FN2O3S/c1-5-14(3,4)8-17-13(18)11-6-10(15)7-12(9(11)2)21(16,19)20/h6-7H,5,8H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyQFFRSEHKICSTNS-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.95
Rot. Bonds5

About N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide

N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide (PubChem CID 103465735) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
PubChem CID103465735
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
SMILESCCC(C)(C)CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C14H21FN2O3S/c1-5-14(3,4)8-17-13(18)11-6-10(15)7-12(9(11)2)21(16,19)20/h6-7H,5,8H2,1-4H3,(H,17,18)(H2,16,19,20)
InChIKeyQFFRSEHKICSTNS-UHFFFAOYSA-N
XLogP1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide 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

5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373702
5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373796
4-chloro-N-(2,2-dimethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 103465691
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
5-chloro-N-(2-methoxy-2-methylpropyl)-2-methyl-3-sulfamoylbenzamide
CID 104766748
2-amino-N-(2,2-dimethylbutyl)-5-fluoro-3-nitrobenzamide
CID 106548251
N-(2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 103461119
5-(2,2-dimethylbutylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 103465541
3,4-dichloro-N-(2,2-dimethylbutyl)-5-sulfamoylbenzamide
CID 103465720
3-(2,2-dimethylbutylcarbamoyl)-4-fluoro-5-methylbenzenesulfonyl chloride
CID 103465557
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979
5-fluoro-2-methyl-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65398199

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide (CID 103465735) is N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide is CCC(C)(C)CNC(=O)c1cc(F)cc(S(N)(=O)=O)c1C.
What is the InChIKey of N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide?
The InChIKey is QFFRSEHKICSTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-5-14(3,4)8-17-13(18)11-6-10(15)7-12(9(11)2)21(16,19)20/h6-7H,5,8H2,1-4H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide?
N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide has a molecular weight of 316.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 103465735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).