5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide

C11H14BrClFNO3S — CID 102701391

IUPAC5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(Br)cc(CCl)c1F
InChIInChI=1S/C11H14BrClFNO3S/c1-7(18-2)6-15-19(16,17)10-4-9(12)3-8(5-13)11(10)14/h3-4,7,15H,5-6H2,1-2H3
InChIKeySWTDHCPJVDENFN-UHFFFAOYSA-N
MW374.66 g/mol
LogP2.64
Rot. Bonds6

About 5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide

5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102701391) has the molecular formula C11H14BrClFNO3S and a molecular weight of 374.66 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102701391
Molecular FormulaC11H14BrClFNO3S
Molecular Weight374.66 g/mol
Exact Mass372.96
IUPAC Name5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cc(Br)cc(CCl)c1F
InChIInChI=1S/C11H14BrClFNO3S/c1-7(18-2)6-15-19(16,17)10-4-9(12)3-8(5-13)11(10)14/h3-4,7,15H,5-6H2,1-2H3
InChIKeySWTDHCPJVDENFN-UHFFFAOYSA-N
XLogP2.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.66
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701374
3-bromo-5-(chloromethyl)-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102701357
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
2,4-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701358
4-(chloromethyl)-N-(2-methoxypropyl)-3-methylbenzenesulfonamide
CID 112737391
2-bromo-N-(2-methoxypropyl)-4-methylbenzenesulfonamide
CID 102697677
5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102701500
5-chloro-N-(2-ethoxypropyl)-2-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106078892
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100
5-bromo-2-fluoro-3-(hydroxymethyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 107124458
3-bromo-5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102701305

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide (CID 102701391) is 5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide is COC(C)CNS(=O)(=O)c1cc(Br)cc(CCl)c1F.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is SWTDHCPJVDENFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClFNO3S/c1-7(18-2)6-15-19(16,17)10-4-9(12)3-8(5-13)11(10)14/h3-4,7,15H,5-6H2,1-2H3.
What are the key properties of 5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 374.66 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-fluoro-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102701391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).