4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide

C11H12BrFN2O3S — CID 65373308

IUPAC4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CC2)cc(F)c1Br
InChIInChI=1S/C11H12BrFN2O3S/c12-10-8(13)3-7(4-9(10)19(14,17)18)11(16)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H2,14,17,18)
InChIKeyZTFSZJRQRFQTIE-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.38
Rot. Bonds4

About 4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide

4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide (PubChem CID 65373308) has the molecular formula C11H12BrFN2O3S and a molecular weight of 351.20 g/mol. Its IUPAC name is 4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
PubChem CID65373308
Molecular FormulaC11H12BrFN2O3S
Molecular Weight351.20 g/mol
Exact Mass349.97
IUPAC Name4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cc(C(=O)NCC2CC2)cc(F)c1Br
InChIInChI=1S/C11H12BrFN2O3S/c12-10-8(13)3-7(4-9(10)19(14,17)18)11(16)15-5-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,16)(H2,14,17,18)
InChIKeyZTFSZJRQRFQTIE-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

4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide
CID 65374812
2-bromo-N-(cyclopropylmethyl)-4-fluoro-5-sulfamoylbenzamide
CID 65373693
4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374272
2-bromo-5-(cyclopropylmethylcarbamoyl)-4-fluorobenzenesulfonyl chloride
CID 65370657
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
CID 106331541
4-bromo-3-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122391
3-bromo-5-(cyclopropylmethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65371615
4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 65389059
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
3-methoxypropyl 4-bromo-3-fluoro-5-sulfamoylbenzoate
CID 65382042
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide (CID 65373308) is 4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide is NS(=O)(=O)c1cc(C(=O)NCC2CC2)cc(F)c1Br.
What is the InChIKey of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide?
The InChIKey is ZTFSZJRQRFQTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O3S/c12-10-8(13)3-7(4-9(10)19(14,17)18)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 4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide?
4-bromo-N-(cyclopropylmethyl)-3-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 4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 65373308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).