2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide

C13H10Cl2FNO3S — CID 103088431

IUPAC2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(O)cc1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C13H10Cl2FNO3S/c14-10-5-6-11(12(15)13(10)16)21(19,20)17-7-8-1-3-9(18)4-2-8/h1-6,17-18H,7H2
InChIKeyQDDYNUIAZLTUAP-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.32
Rot. Bonds4

About 2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide

2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide (PubChem CID 103088431) has the molecular formula C13H10Cl2FNO3S and a molecular weight of 350.20 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
PubChem CID103088431
Molecular FormulaC13H10Cl2FNO3S
Molecular Weight350.20 g/mol
Exact Mass348.97
IUPAC Name2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(O)cc1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C13H10Cl2FNO3S/c14-10-5-6-11(12(15)13(10)16)21(19,20)17-7-8-1-3-9(18)4-2-8/h1-6,17-18H,7H2
InChIKeyQDDYNUIAZLTUAP-UHFFFAOYSA-N
XLogP3.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide (CID 103088431) is 2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(O)cc1)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
The InChIKey is QDDYNUIAZLTUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO3S/c14-10-5-6-11(12(15)13(10)16)21(19,20)17-7-8-1-3-9(18)4-2-8/h1-6,17-18H,7H2.
What are the key properties of 2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide?
2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide has a molecular weight of 350.20 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-[(4-hydroxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103088431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).