2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide

C8H7Cl2F2NO3S — CID 60921506

IUPAC2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCC(F)F)cc1Cl
InChIInChI=1S/C8H7Cl2F2NO3S/c9-4-2-7(17(13,14)15)5(10)1-6(4)16-3-8(11)12/h1-2,8H,3H2,(H2,13,14,15)
InChIKeyXUDPEQIYZZYHAW-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.28
Rot. Bonds4

About 2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide

2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide (PubChem CID 60921506) has the molecular formula C8H7Cl2F2NO3S and a molecular weight of 306.12 g/mol. Its IUPAC name is 2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide
PubChem CID60921506
Molecular FormulaC8H7Cl2F2NO3S
Molecular Weight306.12 g/mol
Exact Mass304.95
IUPAC Name2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCC(F)F)cc1Cl
InChIInChI=1S/C8H7Cl2F2NO3S/c9-4-2-7(17(13,14)15)5(10)1-6(4)16-3-8(11)12/h1-2,8H,3H2,(H2,13,14,15)
InChIKeyXUDPEQIYZZYHAW-UHFFFAOYSA-N
XLogP2.28
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide (CID 60921506) is 2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(OCC(F)F)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide?
The InChIKey is XUDPEQIYZZYHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F2NO3S/c9-4-2-7(17(13,14)15)5(10)1-6(4)16-3-8(11)12/h1-2,8H,3H2,(H2,13,14,15).
What are the key properties of 2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide?
2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide has a molecular weight of 306.12 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2,2-difluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 60921506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).