3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide

C14H8Cl2F2N4O3S — CID 146545886

IUPAC3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-n2nccn2)c(F)cc1F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H8Cl2F2N4O3S/c15-7-3-8(16)14(23)13(4-7)26(24,25)21-11-6-12(10(18)5-9(11)17)22-19-1-2-20-22/h1-6,21,23H
InChIKeyYSIWGACJKHBVEP-UHFFFAOYSA-N
MW421.21 g/mol
LogP3.36
Rot. Bonds4

About 3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide

3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide (PubChem CID 146545886) has the molecular formula C14H8Cl2F2N4O3S and a molecular weight of 421.21 g/mol. Its IUPAC name is 3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide
PubChem CID146545886
Molecular FormulaC14H8Cl2F2N4O3S
Molecular Weight421.21 g/mol
Exact Mass419.97
IUPAC Name3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-n2nccn2)c(F)cc1F)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C14H8Cl2F2N4O3S/c15-7-3-8(16)14(23)13(4-7)26(24,25)21-11-6-12(10(18)5-9(11)17)22-19-1-2-20-22/h1-6,21,23H
InChIKeyYSIWGACJKHBVEP-UHFFFAOYSA-N
XLogP3.36
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.21
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide (CID 146545886) is 3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1cc(-n2nccn2)c(F)cc1F)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide?
The InChIKey is YSIWGACJKHBVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N4O3S/c15-7-3-8(16)14(23)13(4-7)26(24,25)21-11-6-12(10(18)5-9(11)17)22-19-1-2-20-22/h1-6,21,23H.
What are the key properties of 3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide has a molecular weight of 421.21 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2,4-difluoro-5-(triazol-2-yl)phenyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).