5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide

C13H19FN2O3S — CID 65373796

IUPAC5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
SMILESCCC(C)(C)NC(=O)c1cc(F)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H19FN2O3S/c1-5-13(3,4)16-12(17)10-6-9(14)7-11(8(10)2)20(15,18)19/h6-7H,5H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyHKQZXZNXPLLTPL-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.70
Rot. Bonds4

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

5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide (PubChem CID 65373796) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
PubChem CID65373796
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
SMILESCCC(C)(C)NC(=O)c1cc(F)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C13H19FN2O3S/c1-5-13(3,4)16-12(17)10-6-9(14)7-11(8(10)2)20(15,18)19/h6-7H,5H2,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyHKQZXZNXPLLTPL-UHFFFAOYSA-N
XLogP1.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylbutyl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 103465735
5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373702
2,5-difluoro-3-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368777
2,4-dimethyl-N-(2-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 62922364
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979
2,5-dichloro-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373801
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
2,4,6-trimethyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373603
2,5-difluoro-3-(3-methylpentan-3-ylcarbamoyl)benzenesulfonyl chloride
CID 106331490
3,4-dimethyl-N-(2-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 115643625
3,4-difluoro-5-(2-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368447
3-fluoro-2-hydrazinyl-N-(2-methylbutan-2-yl)benzamide
CID 62661471

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide (CID 65373796) is 5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide is CCC(C)(C)NC(=O)c1cc(F)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is HKQZXZNXPLLTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-5-13(3,4)16-12(17)10-6-9(14)7-11(8(10)2)20(15,18)19/h6-7H,5H2,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide?
5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65373796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).