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

C10H12BrFN2O3S — CID 36909799

IUPAC5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O3S/c1-18(16,17)14-5-4-13-10(15)8-6-7(11)2-3-9(8)12/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyCSOPASYHOZSOIT-UHFFFAOYSA-N
MW339.19 g/mol
LogP0.87
Rot. Bonds5

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

5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 36909799) has the molecular formula C10H12BrFN2O3S and a molecular weight of 339.19 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID36909799
Molecular FormulaC10H12BrFN2O3S
Molecular Weight339.19 g/mol
Exact Mass337.97
IUPAC Name5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCS(=O)(=O)NCCNC(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H12BrFN2O3S/c1-18(16,17)14-5-4-13-10(15)8-6-7(11)2-3-9(8)12/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyCSOPASYHOZSOIT-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-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907101
5-bromo-2-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593777
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754
2-[(5-bromo-2-fluorobenzoyl)amino]ethyl N-methylcarbamate
CID 139467608
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
5-bromo-2-fluoro-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 24694264
2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide
CID 80980104
5-bromo-2-fluoro-N-(7-methyloctyl)benzamide
CID 63525308
N-(3-amino-3-hydroxyiminopropyl)-5-bromo-2-fluorobenzamide
CID 76953114
5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113223361
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
3-[(5-bromo-2-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 62677096

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide (CID 36909799) is 5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide is CS(=O)(=O)NCCNC(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is CSOPASYHOZSOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O3S/c1-18(16,17)14-5-4-13-10(15)8-6-7(11)2-3-9(8)12/h2-3,6,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide?
5-bromo-2-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 5-bromo-2-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 36909799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).