3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide

C11H14BrFN2O3S — CID 106547809

IUPAC3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H14BrFN2O3S/c1-19(17,18)15-7-3-6-14-11(16)8-4-2-5-9(12)10(8)13/h2,4-5,15H,3,6-7H2,1H3,(H,14,16)
InChIKeyNMNMGWWCOGBIIL-UHFFFAOYSA-N
MW353.21 g/mol
LogP1.26
Rot. Bonds6

About 3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide

3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide (PubChem CID 106547809) has the molecular formula C11H14BrFN2O3S and a molecular weight of 353.21 g/mol. Its IUPAC name is 3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide
PubChem CID106547809
Molecular FormulaC11H14BrFN2O3S
Molecular Weight353.21 g/mol
Exact Mass351.99
IUPAC Name3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide
SMILESCS(=O)(=O)NCCCNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C11H14BrFN2O3S/c1-19(17,18)15-7-3-6-14-11(16)8-4-2-5-9(12)10(8)13/h2,4-5,15H,3,6-7H2,1H3,(H,14,16)
InChIKeyNMNMGWWCOGBIIL-UHFFFAOYSA-N
XLogP1.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 51.26
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

3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
3-fluoro-2-hydrazinyl-N-[3-(methanesulfonamido)propyl]benzamide
CID 114175770
4-[(3-bromo-2-fluorobenzoyl)amino]butanoic acid
CID 107948926
2-bromo-N-[3-(methanesulfonamido)propyl]-4-methylbenzamide
CID 113337803
3-bromo-2-fluoro-N-(6-iodohexyl)benzamide
CID 114020519
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
CID 106548051
2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907101
N-(5-amino-5-sulfanylidenepentyl)-3-bromo-2-fluorobenzamide
CID 107951242
N-[3-(methanesulfonamido)propyl]-1H-indole-7-carboxamide
CID 103706674
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide
CID 106544675
3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 106548063

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide?
The IUPAC name of 3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide (CID 106547809) is 3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide.
What is the SMILES notation for 3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide?
The canonical SMILES for 3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide is CS(=O)(=O)NCCCNC(=O)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide?
The InChIKey is NMNMGWWCOGBIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O3S/c1-19(17,18)15-7-3-6-14-11(16)8-4-2-5-9(12)10(8)13/h2,4-5,15H,3,6-7H2,1H3,(H,14,16).
What are the key properties of 3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide?
3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide has a molecular weight of 353.21 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide is sourced from PubChem (CID 106547809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).