5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide

C7H6BrClFNO2S — CID 66740719

IUPAC5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(CBr)c(Cl)cc1F
InChIInChI=1S/C7H6BrClFNO2S/c8-3-4-1-7(14(11,12)13)6(10)2-5(4)9/h1-2H,3H2,(H2,11,12,13)
InChIKeyJYKSQWBOTHEPOT-UHFFFAOYSA-N
MW302.55 g/mol
LogP2.02
Rot. Bonds2

About 5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide

5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide (PubChem CID 66740719) has the molecular formula C7H6BrClFNO2S and a molecular weight of 302.55 g/mol. Its IUPAC name is 5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide
PubChem CID66740719
Molecular FormulaC7H6BrClFNO2S
Molecular Weight302.55 g/mol
Exact Mass300.90
IUPAC Name5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(CBr)c(Cl)cc1F
InChIInChI=1S/C7H6BrClFNO2S/c8-3-4-1-7(14(11,12)13)6(10)2-5(4)9/h1-2H,3H2,(H2,11,12,13)
InChIKeyJYKSQWBOTHEPOT-UHFFFAOYSA-N
XLogP2.02
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide (CID 66740719) is 5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide is NS(=O)(=O)c1cc(CBr)c(Cl)cc1F.
What is the InChIKey of 5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide?
The InChIKey is JYKSQWBOTHEPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFNO2S/c8-3-4-1-7(14(11,12)13)6(10)2-5(4)9/h1-2H,3H2,(H2,11,12,13).
What are the key properties of 5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide?
5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide has a molecular weight of 302.55 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 66740719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).