4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide

C13H16BrFN2O3S — CID 65388695

IUPAC4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
SMILESCC(CC1CC1)NC(=O)c1cc(S(N)(=O)=O)c(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3S/c1-7(4-8-2-3-8)17-13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-8H,2-4H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyWTXFQBPRGBULLS-UHFFFAOYSA-N
MW379.25 g/mol
LogP2.15
Rot. Bonds5

About 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide

4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide (PubChem CID 65388695) has the molecular formula C13H16BrFN2O3S and a molecular weight of 379.25 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
PubChem CID65388695
Molecular FormulaC13H16BrFN2O3S
Molecular Weight379.25 g/mol
Exact Mass378.00
IUPAC Name4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
SMILESCC(CC1CC1)NC(=O)c1cc(S(N)(=O)=O)c(Br)cc1F
InChIInChI=1S/C13H16BrFN2O3S/c1-7(4-8-2-3-8)17-13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-8H,2-4H2,1H3,(H,17,18)(H2,16,19,20)
InChIKeyWTXFQBPRGBULLS-UHFFFAOYSA-N
XLogP2.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 65387022
5-(1-cyclopropylpropan-2-ylcarbamoyl)-2,4-difluorobenzenesulfonyl chloride
CID 65397452
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-sulfamoylbenzamide
CID 65388884
N-(1-cyclopropylpropan-2-yl)-2-fluoro-4-methylbenzamide
CID 79796022
4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
CID 65374809
3-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluorobenzamide
CID 106544532
2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
CID 65373693
N-(1-cyclopropylpropan-2-yl)-2,5-difluoro-4-nitrobenzamide
CID 104699393
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388
2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65370657
5-bromo-N-(1-cyclopropylpropan-2-yl)-2-hydroxybenzamide
CID 113235026

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide (CID 65388695) is 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide is CC(CC1CC1)NC(=O)c1cc(S(N)(=O)=O)c(Br)cc1F.
What is the InChIKey of 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is WTXFQBPRGBULLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O3S/c1-7(4-8-2-3-8)17-13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-8H,2-4H2,1H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide?
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 379.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 65388695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).