3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide

C13H19FN2O3S — CID 65374852

IUPAC3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
SMILESCc1c(F)cc(C(=O)NC(C)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H19FN2O3S/c1-7(2)9(4)16-13(17)10-5-11(14)8(3)12(6-10)20(15,18)19/h5-7,9H,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyAUOYDYOOONBLSD-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.56
Rot. Bonds4

About 3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide

3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide (PubChem CID 65374852) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
PubChem CID65374852
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
SMILESCc1c(F)cc(C(=O)NC(C)C(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H19FN2O3S/c1-7(2)9(4)16-13(17)10-5-11(14)8(3)12(6-10)20(15,18)19/h5-7,9H,1-4H3,(H,16,17)(H2,15,18,19)
InChIKeyAUOYDYOOONBLSD-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide
CID 81488768
4-methylpentyl 3-fluoro-4-methyl-5-sulfamoylbenzoate
CID 65381677
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
CID 78795162
tert-butyl 3-fluoro-4-methyl-5-sulfamoylbenzoate
CID 65382650
N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide
CID 65374785
N-(1-cyclobutylethyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 115769138
4-fluoro-N-[(2S)-3-methylbutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 51881548
3,4-dichloro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375550
3-bromo-2-methoxy-5-(3-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370671
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-fluoro-4-methylbenzamide
CID 106343679
3,5-dihydroxy-N-(3-methylbutan-2-yl)benzamide
CID 103891766

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide?
The IUPAC name of 3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide (CID 65374852) is 3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide is Cc1c(F)cc(C(=O)NC(C)C(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide?
The InChIKey is AUOYDYOOONBLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-7(2)9(4)16-13(17)10-5-11(14)8(3)12(6-10)20(15,18)19/h5-7,9H,1-4H3,(H,16,17)(H2,15,18,19).
What are the key properties of 3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide?
3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(3-methylbutan-2-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65374852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).