5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide

C18H13ClFNO4S — CID 146545749

IUPAC5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)c(O)cc1O
InChIInChI=1S/C18H13ClFNO4S/c19-13-9-18(17(23)10-16(13)22)26(24,25)21-15-8-12(6-7-14(15)20)11-4-2-1-3-5-11/h1-10,21-23H
InChIKeyMDBDGGJGZIDVQW-UHFFFAOYSA-N
MW393.82 g/mol
LogP4.36
Rot. Bonds4

About 5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide

5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide (PubChem CID 146545749) has the molecular formula C18H13ClFNO4S and a molecular weight of 393.82 g/mol. Its IUPAC name is 5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide
PubChem CID146545749
Molecular FormulaC18H13ClFNO4S
Molecular Weight393.82 g/mol
Exact Mass393.02
IUPAC Name5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)c(O)cc1O
InChIInChI=1S/C18H13ClFNO4S/c19-13-9-18(17(23)10-16(13)22)26(24,25)21-15-8-12(6-7-14(15)20)11-4-2-1-3-5-11/h1-10,21-23H
InChIKeyMDBDGGJGZIDVQW-UHFFFAOYSA-N
XLogP4.36
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide (CID 146545749) is 5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)ccc1F)c1cc(Cl)c(O)cc1O.
What is the InChIKey of 5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide?
The InChIKey is MDBDGGJGZIDVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFNO4S/c19-13-9-18(17(23)10-16(13)22)26(24,25)21-15-8-12(6-7-14(15)20)11-4-2-1-3-5-11/h1-10,21-23H.
What are the key properties of 5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide?
5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide has a molecular weight of 393.82 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-fluoro-5-phenylphenyl)-2,4-dihydroxybenzenesulfonamide is sourced from PubChem (CID 146545749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).