2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide

C7H6Cl2FNO2S — CID 166596739

IUPAC2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)c(F)cc1Cl
InChIInChI=1S/C7H6Cl2FNO2S/c1-11-14(12,13)7-3-4(8)6(10)2-5(7)9/h2-3,11H,1H3
InChIKeyYPIGSHXPKLQTRN-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.04
Rot. Bonds2

About 2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide

2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 166596739) has the molecular formula C7H6Cl2FNO2S and a molecular weight of 258.10 g/mol. Its IUPAC name is 2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide
PubChem CID166596739
Molecular FormulaC7H6Cl2FNO2S
Molecular Weight258.10 g/mol
Exact Mass256.95
IUPAC Name2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)c(F)cc1Cl
InChIInChI=1S/C7H6Cl2FNO2S/c1-11-14(12,13)7-3-4(8)6(10)2-5(7)9/h2-3,11H,1H3
InChIKeyYPIGSHXPKLQTRN-UHFFFAOYSA-N
XLogP2.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide (CID 166596739) is 2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(Cl)c(F)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is YPIGSHXPKLQTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2FNO2S/c1-11-14(12,13)7-3-4(8)6(10)2-5(7)9/h2-3,11H,1H3.
What are the key properties of 2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide?
2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 258.10 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 166596739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).