3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide

C16H10Cl2FNO3S — CID 146601352

IUPAC3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cccc(F)c12)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H10Cl2FNO3S/c17-10-7-11(18)16(21)14(8-10)24(22,23)20-13-6-2-4-9-3-1-5-12(19)15(9)13/h1-8,20-21H
InChIKeyKCXHQRFTSWBXFD-UHFFFAOYSA-N
MW386.23 g/mol
LogP4.79
Rot. Bonds3

About 3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide

3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide (PubChem CID 146601352) has the molecular formula C16H10Cl2FNO3S and a molecular weight of 386.23 g/mol. Its IUPAC name is 3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide
PubChem CID146601352
Molecular FormulaC16H10Cl2FNO3S
Molecular Weight386.23 g/mol
Exact Mass384.97
IUPAC Name3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1cccc2cccc(F)c12)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H10Cl2FNO3S/c17-10-7-11(18)16(21)14(8-10)24(22,23)20-13-6-2-4-9-3-1-5-12(19)15(9)13/h1-8,20-21H
InChIKeyKCXHQRFTSWBXFD-UHFFFAOYSA-N
XLogP4.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 54.79
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide (CID 146601352) is 3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide is O=S(=O)(Nc1cccc2cccc(F)c12)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide?
The InChIKey is KCXHQRFTSWBXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO3S/c17-10-7-11(18)16(21)14(8-10)24(22,23)20-13-6-2-4-9-3-1-5-12(19)15(9)13/h1-8,20-21H.
What are the key properties of 3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide?
3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide has a molecular weight of 386.23 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(8-fluoronaphthalen-1-yl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146601352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).