2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide

C12H14BrFN2O3S — CID 63933111

IUPAC2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)C1CC1
InChIInChI=1S/C12H14BrFN2O3S/c1-6(7-2-3-7)16-12(17)9-4-8(14)5-10(11(9)13)20(15,18)19/h4-7H,2-3H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyDPBVJPNOAWNLDG-UHFFFAOYSA-N
MW365.22 g/mol
LogP1.76
Rot. Bonds4

About 2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide

2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide (PubChem CID 63933111) has the molecular formula C12H14BrFN2O3S and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
PubChem CID63933111
Molecular FormulaC12H14BrFN2O3S
Molecular Weight365.22 g/mol
Exact Mass363.99
IUPAC Name2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
SMILESCC(NC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)C1CC1
InChIInChI=1S/C12H14BrFN2O3S/c1-6(7-2-3-7)16-12(17)9-4-8(14)5-10(11(9)13)20(15,18)19/h4-7H,2-3H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyDPBVJPNOAWNLDG-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

2-bromo-3-(1-cyclopropylethylcarbamoyl)-5-fluorobenzenesulfonyl chloride
CID 65370561
N-(1-cyclopropylethyl)-2,5-difluoro-3-sulfamoylbenzamide
CID 65386252
4-bromo-N-(1-cyclopropylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 65387022
2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
CID 65387490
2-bromo-N-(2,2-dimethylcyclopropyl)-5-fluoro-3-sulfamoylbenzamide
CID 63932506
2-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]-5-fluoro-3-sulfamoylbenzamide
CID 95763345
5-bromo-N-(1-cyclopropylethyl)-4-sulfamoylfuran-2-carboxamide
CID 65388940
N-(1-cyclopropylpropan-2-yl)-5-fluoro-2-methyl-3-sulfamoylbenzamide
CID 65387150
2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide
CID 102701174
2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide
CID 115764551
2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide
CID 63930591
2-bromo-5-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63931877

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide (CID 63933111) is 2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide is CC(NC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)C1CC1.
What is the InChIKey of 2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide?
The InChIKey is DPBVJPNOAWNLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O3S/c1-6(7-2-3-7)16-12(17)9-4-8(14)5-10(11(9)13)20(15,18)19/h4-7H,2-3H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide?
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-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 2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide is sourced from PubChem (CID 63933111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).