3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide

C19H14Cl2FNO3S — CID 146545770

IUPAC3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H14Cl2FNO3S/c20-15-9-16(21)19(24)18(10-15)27(25,26)23-11-14-8-13(6-7-17(14)22)12-4-2-1-3-5-12/h1-10,23-24H,11H2
InChIKeyHWHSERWUHORIPI-UHFFFAOYSA-N
MW426.30 g/mol
LogP4.98
Rot. Bonds5

About 3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide

3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide (PubChem CID 146545770) has the molecular formula C19H14Cl2FNO3S and a molecular weight of 426.30 g/mol. Its IUPAC name is 3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide
PubChem CID146545770
Molecular FormulaC19H14Cl2FNO3S
Molecular Weight426.30 g/mol
Exact Mass425.01
IUPAC Name3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H14Cl2FNO3S/c20-15-9-16(21)19(24)18(10-15)27(25,26)23-11-14-8-13(6-7-17(14)22)12-4-2-1-3-5-12/h1-10,23-24H,11H2
InChIKeyHWHSERWUHORIPI-UHFFFAOYSA-N
XLogP4.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.30
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-hydroxy-N-(2,4,6-triphenylphenyl)benzene-1-sulfonamide
CID 44442242
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545968
3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545977
N-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]-3,5-dichloro-2-hydroxybenzenesulfonamide
CID 122190132
3,5-dichloro-N-[1-(4-fluorophenyl)cyclopropyl]-2-hydroxybenzenesulfonamide
CID 146600977
3,5-dichloro-N-[3-(4-fluorophenyl)cyclobutyl]-2-hydroxybenzenesulfonamide
CID 146601188
3,5-dichloro-N-[[1-[(4-fluorophenyl)methyl]cyclopropyl]methyl]-2-hydroxybenzenesulfonamide
CID 146601207
2,4-Dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol
CID 146604296
3,5-dichloro-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 21227237
3,5-dichloro-N-[[3-[[(3,5-dichloro-2-hydroxyphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-2-hydroxybenzenesulfonamide
CID 44594822
3,5-dichloro-N-[(4-ethylphenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 58531335

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide (CID 146545770) is 3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide is O=S(=O)(NCc1cc(-c2ccccc2)ccc1F)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide?
The InChIKey is HWHSERWUHORIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FNO3S/c20-15-9-16(21)19(24)18(10-15)27(25,26)23-11-14-8-13(6-7-17(14)22)12-4-2-1-3-5-12/h1-10,23-24H,11H2.
What are the key properties of 3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide has a molecular weight of 426.30 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).