N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide

C10H14BrFN2O2S — CID 106089645

IUPACN-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C10H14BrFN2O2S/c1-13-6-3-7-17(15,16)14-10-8(11)4-2-5-9(10)12/h2,4-5,13-14H,3,6-7H2,1H3
InChIKeyORMZOSPNFGAJEW-UHFFFAOYSA-N
MW325.20 g/mol
LogP1.94
Rot. Bonds6

About N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide

N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide (PubChem CID 106089645) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
PubChem CID106089645
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC NameN-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
SMILESCNCCCS(=O)(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C10H14BrFN2O2S/c1-13-6-3-7-17(15,16)14-10-8(11)4-2-5-9(10)12/h2,4-5,13-14H,3,6-7H2,1H3
InChIKeyORMZOSPNFGAJEW-UHFFFAOYSA-N
XLogP1.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.94
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

N-(2-bromo-6-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107601145
N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
CID 107602659
N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
N-(2,6-difluoro-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106074571
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 114142503
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106066644
N-(2,6-dibromophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106088845
N-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106087709
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide
CID 107602655

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide (CID 106089645) is N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide is CNCCCS(=O)(=O)Nc1c(F)cccc1Br.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide?
The InChIKey is ORMZOSPNFGAJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-13-6-3-7-17(15,16)14-10-8(11)4-2-5-9(10)12/h2,4-5,13-14H,3,6-7H2,1H3.
What are the key properties of N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide?
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide has a molecular weight of 325.20 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide is sourced from PubChem (CID 106089645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).