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

C19H14Cl2FNO3S — CID 146545937

IUPAC3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C19H14Cl2FNO3S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)23-27(24,25)18-11-14(20)10-15(21)19(18)22/h2-11,23H,1H3
InChIKeyNDUDPBGBWFUEKR-UHFFFAOYSA-N
MW426.30 g/mol
LogP5.61
Rot. Bonds5

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

3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (PubChem CID 146545937) has the molecular formula C19H14Cl2FNO3S and a molecular weight of 426.30 g/mol. Its IUPAC name is 3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
PubChem CID146545937
Molecular FormulaC19H14Cl2FNO3S
Molecular Weight426.30 g/mol
Exact Mass425.01
IUPAC Name3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1F
InChIInChI=1S/C19H14Cl2FNO3S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)23-27(24,25)18-11-14(20)10-15(21)19(18)22/h2-11,23H,1H3
InChIKeyNDUDPBGBWFUEKR-UHFFFAOYSA-N
XLogP5.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.30
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-5-phenylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (CID 146545937) is 3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1F.
What is the InChIKey of 3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The InChIKey is NDUDPBGBWFUEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FNO3S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)23-27(24,25)18-11-14(20)10-15(21)19(18)22/h2-11,23H,1H3.
What are the key properties of 3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide has a molecular weight of 426.30 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-fluoro-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 146545937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).