2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide

C11H12BrFN2O3S — CID 65373693

IUPAC2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CC2)c(Br)cc1F
InChIInChI=1S/C11H12BrFN2O3S/c12-8-4-9(13)10(19(14,17)18)3-7(8)11(16)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H2,14,17,18)
InChIKeyIDYSDULQNPLEIR-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.38
Rot. Bonds4

About 2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide

2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide (PubChem CID 65373693) has the molecular formula C11H12BrFN2O3S and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
PubChem CID65373693
Molecular FormulaC11H12BrFN2O3S
Molecular Weight351.20 g/mol
Exact Mass349.97
IUPAC Name2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CC2)c(Br)cc1F
InChIInChI=1S/C11H12BrFN2O3S/c12-8-4-9(13)10(19(14,17)18)3-7(8)11(16)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H2,14,17,18)
InChIKeyIDYSDULQNPLEIR-UHFFFAOYSA-N
XLogP1.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65370657
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375937
N-(cyclopropylmethyl)-2-fluoro-5-sulfamoylbenzamide
CID 60727294
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)-5-sulfamoylbenzamide
CID 65387506
N-(cyclopropylmethyl)-2-sulfamoylbenzamide
CID 43164725
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695
5-chloro-N-(cyclopentylmethyl)-2-fluoro-3-sulfamoylbenzamide
CID 65388548
5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 63932911

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide (CID 65373693) is 2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCC2CC2)c(Br)cc1F.
What is the InChIKey of 2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide?
The InChIKey is IDYSDULQNPLEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O3S/c12-8-4-9(13)10(19(14,17)18)3-7(8)11(16)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H2,14,17,18).
What are the key properties of 2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide?
2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide has a molecular weight of 351.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 65373693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).