3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide

C18H11Cl2F2NO2S — CID 146545730

IUPAC3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C18H11Cl2F2NO2S/c19-13-9-14(20)18(22)17(10-13)26(24,25)23-16-8-12(6-7-15(16)21)11-4-2-1-3-5-11/h1-10,23H
InChIKeyVUXWDDIJCKUHSN-UHFFFAOYSA-N
MW414.26 g/mol
LogP5.74
Rot. Bonds4

About 3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide

3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide (PubChem CID 146545730) has the molecular formula C18H11Cl2F2NO2S and a molecular weight of 414.26 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
PubChem CID146545730
Molecular FormulaC18H11Cl2F2NO2S
Molecular Weight414.26 g/mol
Exact Mass412.99
IUPAC Name3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C18H11Cl2F2NO2S/c19-13-9-14(20)18(22)17(10-13)26(24,25)23-16-8-12(6-7-15(16)21)11-4-2-1-3-5-11/h1-10,23H
InChIKeyVUXWDDIJCKUHSN-UHFFFAOYSA-N
XLogP5.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.26
LogP ≤ 55.74
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 3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide (CID 146545730) is 3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Cl)c1F.
What is the InChIKey of 3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide?
The InChIKey is VUXWDDIJCKUHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F2NO2S/c19-13-9-14(20)18(22)17(10-13)26(24,25)23-16-8-12(6-7-15(16)21)11-4-2-1-3-5-11/h1-10,23H.
What are the key properties of 3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide?
3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide has a molecular weight of 414.26 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 146545730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).