N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide

C14H19FN2O3S — CID 65387150

IUPACN-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC(C)CC2CC2)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C14H19FN2O3S/c1-8(5-10-3-4-10)17-14(18)12-6-11(15)7-13(9(12)2)21(16,19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyRGYHGVXTHIZRTE-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.70
Rot. Bonds5

About N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide

N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide (PubChem CID 65387150) has the molecular formula C14H19FN2O3S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
PubChem CID65387150
Molecular FormulaC14H19FN2O3S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
SMILESCc1c(C(=O)NC(C)CC2CC2)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C14H19FN2O3S/c1-8(5-10-3-4-10)17-14(18)12-6-11(15)7-13(9(12)2)21(16,19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyRGYHGVXTHIZRTE-UHFFFAOYSA-N
XLogP1.70
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388
N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide
CID 65386252
N-cyclohexyl-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65373979
5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 65397452
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111
5-fluoro-2-methyl-3-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65373702
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
5-fluoro-2-methyl-N-(2-methylbutan-2-yl)-3-sulfamoylbenzamide
CID 65373796
3-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluorobenzamide
CID 106544532
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65387785

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide (CID 65387150) is N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide is Cc1c(C(=O)NC(C)CC2CC2)cc(F)cc1S(N)(=O)=O.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide?
The InChIKey is RGYHGVXTHIZRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S/c1-8(5-10-3-4-10)17-14(18)12-6-11(15)7-13(9(12)2)21(16,19)20/h6-8,10H,3-5H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide?
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide has a molecular weight of 314.38 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 65387150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).