2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide

C10H12BrFN2O3S — CID 36907101

IUPAC2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFN2O3S/c1-18(16,17)14-5-4-13-10(15)8-6-7(12)2-3-9(8)11/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyILRXVVYJVOJUEI-UHFFFAOYSA-N
MW339.19 g/mol
LogP0.87
Rot. Bonds5

About 2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide

2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 36907101) has the molecular formula C10H12BrFN2O3S and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID36907101
Molecular FormulaC10H12BrFN2O3S
Molecular Weight339.19 g/mol
Exact Mass337.97
IUPAC Name2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFN2O3S/c1-18(16,17)14-5-4-13-10(15)8-6-7(12)2-3-9(8)11/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyILRXVVYJVOJUEI-UHFFFAOYSA-N
XLogP0.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide
CID 80980104
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36909799
2-(3-aminoprop-1-ynyl)-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60822004
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide
CID 106547809
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide
CID 47038122

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide (CID 36907101) is 2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide is CS(=O)(=O)NCCNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is ILRXVVYJVOJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O3S/c1-18(16,17)14-5-4-13-10(15)8-6-7(12)2-3-9(8)11/h2-3,6,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide?
2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 339.19 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 36907101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).