4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol

C19H12Cl2FN5O4S — CID 10278409

IUPAC4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol
SMILESO=S(=O)(c1ccc(F)cc1)c1cc(Oc2c(Cl)cc(Nc3nn[nH]n3)cc2Cl)ccc1O
InChIInChI=1S/C19H12Cl2FN5O4S/c20-14-7-11(23-19-24-26-27-25-19)8-15(21)18(14)31-12-3-6-16(28)17(9-12)32(29,30)13-4-1-10(22)2-5-13/h1-9,28H,(H2,23,24,25,26,27)
InChIKeyXVXMXVRWBSXMBT-UHFFFAOYSA-N
MW496.31 g/mol
LogP4.72
Rot. Bonds6

About 4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol

4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol (PubChem CID 10278409) has the molecular formula C19H12Cl2FN5O4S and a molecular weight of 496.31 g/mol. Its IUPAC name is 4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol.

Molecular Properties

Compound Name4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol
PubChem CID10278409
Molecular FormulaC19H12Cl2FN5O4S
Molecular Weight496.31 g/mol
Exact Mass495.00
IUPAC Name4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol
SMILESO=S(=O)(c1ccc(F)cc1)c1cc(Oc2c(Cl)cc(Nc3nn[nH]n3)cc2Cl)ccc1O
InChIInChI=1S/C19H12Cl2FN5O4S/c20-14-7-11(23-19-24-26-27-25-19)8-15(21)18(14)31-12-3-6-16(28)17(9-12)32(29,30)13-4-1-10(22)2-5-13/h1-9,28H,(H2,23,24,25,26,27)
InChIKeyXVXMXVRWBSXMBT-UHFFFAOYSA-N
XLogP4.72
TPSA130.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.31
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol?
The IUPAC name of 4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol (CID 10278409) is 4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol.
What is the SMILES notation for 4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol?
The canonical SMILES for 4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol is O=S(=O)(c1ccc(F)cc1)c1cc(Oc2c(Cl)cc(Nc3nn[nH]n3)cc2Cl)ccc1O.
What is the InChIKey of 4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol?
The InChIKey is XVXMXVRWBSXMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FN5O4S/c20-14-7-11(23-19-24-26-27-25-19)8-15(21)18(14)31-12-3-6-16(28)17(9-12)32(29,30)13-4-1-10(22)2-5-13/h1-9,28H,(H2,23,24,25,26,27).
What are the key properties of 4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol?
4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol has a molecular weight of 496.31 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dichloro-4-(2H-tetrazol-5-ylamino)phenoxy]-2-(4-fluorophenyl)sulfonylphenol is sourced from PubChem (CID 10278409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).