N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide

C14H21FN2O3S — CID 104830380

IUPACN-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide
SMILESCc1cc(S(N)(=O)=O)cc(C(=O)NC(C)C(C)(C)C)c1F
InChIInChI=1S/C14H21FN2O3S/c1-8-6-10(21(16,19)20)7-11(12(8)15)13(18)17-9(2)14(3,4)5/h6-7,9H,1-5H3,(H,17,18)(H2,16,19,20)
InChIKeyCFKKGXRTIQHXIN-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.95
Rot. Bonds3

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

N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide (PubChem CID 104830380) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide
PubChem CID104830380
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide
SMILESCc1cc(S(N)(=O)=O)cc(C(=O)NC(C)C(C)(C)C)c1F
InChIInChI=1S/C14H21FN2O3S/c1-8-6-10(21(16,19)20)7-11(12(8)15)13(18)17-9(2)14(3,4)5/h6-7,9H,1-5H3,(H,17,18)(H2,16,19,20)
InChIKeyCFKKGXRTIQHXIN-UHFFFAOYSA-N
XLogP1.95
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 81478779
2-fluoro-3-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 81478345
3-bromo-N-(3,3-dimethylbutan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 104830398
N-cyclopropyl-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 81479218
5-chloro-3-(3,3-dimethylbutan-2-ylcarbamoyl)-2-fluorobenzenesulfonyl chloride
CID 104830356
5-bromo-N-[(2R)-3,3-dimethylbutan-2-yl]-2-methyl-3-sulfamoylbenzamide
CID 95786902
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 104830396
methyl (2S)-2-[(2,3-dimethyl-5-sulfamoylbenzoyl)amino]-3-methylbutanoate
CID 125135704
4-methylpentan-2-yl 2-fluoro-3-methyl-5-sulfamoylbenzoate
CID 81479999
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 102705922
2-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 46651162
2-bromo-5-(3,3-dimethylbutan-2-ylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 104830358

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide (CID 104830380) is N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide is Cc1cc(S(N)(=O)=O)cc(C(=O)NC(C)C(C)(C)C)c1F.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide?
The InChIKey is CFKKGXRTIQHXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-8-6-10(21(16,19)20)7-11(12(8)15)13(18)17-9(2)14(3,4)5/h6-7,9H,1-5H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide?
N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide has a molecular weight of 316.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-fluoro-3-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 104830380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).