4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide

C12H14BrFN2O3S — CID 65387022

IUPAC4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)c(Br)cc1F)C1CC1
InChIInChI=1S/C12H14BrFN2O3S/c1-6(7-2-3-7)16-12(17)8-4-11(20(15,18)19)9(13)5-10(8)14/h4-7H,2-3H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyOQDXCJLVKASTCC-UHFFFAOYSA-N
MW365.22 g/mol
LogP1.76
Rot. Bonds4

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

4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide (PubChem CID 65387022) has the molecular formula C12H14BrFN2O3S and a molecular weight of 365.22 g/mol. Its IUPAC name is 4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
PubChem CID65387022
Molecular FormulaC12H14BrFN2O3S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC Name4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(S(N)(=O)=O)c(Br)cc1F)C1CC1
InChIInChI=1S/C12H14BrFN2O3S/c1-6(7-2-3-7)16-12(17)8-4-11(20(15,18)19)9(13)5-10(8)14/h4-7H,2-3H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyOQDXCJLVKASTCC-UHFFFAOYSA-N
XLogP1.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111
N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide
CID 65386252
5-bromo-N-(1-cyclopropylethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388940
4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
CID 65374809
2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375937
2-bromo-3-(1-cyclopropylethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370561
2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
CID 89420130
2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide
CID 115769124
3-bromo-N-(1-cyclopropylethyl)-2-fluorobenzamide
CID 106544366
4-amino-N-[(1R)-1-cyclohexylethyl]-2-fluorobenzamide
CID 94431767
N-(1-cyclopropylethyl)-2,3-dimethyl-5-sulfamoylbenzamide
CID 65389131

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide (CID 65387022) is 4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide is CC(NC(=O)c1cc(S(N)(=O)=O)c(Br)cc1F)C1CC1.
What is the InChIKey of 4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide?
The InChIKey is OQDXCJLVKASTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O3S/c1-6(7-2-3-7)16-12(17)8-4-11(20(15,18)19)9(13)5-10(8)14/h4-7H,2-3H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide?
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide has a molecular weight of 365.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 65387022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).