N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide

C12H9Cl2FN2O3S — CID 106000536

IUPACN-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(F)c(Cl)c1)c1ccc(CO)cn1
InChIInChI=1S/C12H9Cl2FN2O3S/c13-9-3-8(4-10(14)12(9)15)17-21(19,20)11-2-1-7(6-18)5-16-11/h1-5,17-18H,6H2
InChIKeyVAUFXSCSKSBXNQ-UHFFFAOYSA-N
MW351.19 g/mol
LogP2.82
Rot. Bonds4

About N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide

N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide (PubChem CID 106000536) has the molecular formula C12H9Cl2FN2O3S and a molecular weight of 351.19 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
PubChem CID106000536
Molecular FormulaC12H9Cl2FN2O3S
Molecular Weight351.19 g/mol
Exact Mass349.97
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(F)c(Cl)c1)c1ccc(CO)cn1
InChIInChI=1S/C12H9Cl2FN2O3S/c13-9-3-8(4-10(14)12(9)15)17-21(19,20)11-2-1-7(6-18)5-16-11/h1-5,17-18H,6H2
InChIKeyVAUFXSCSKSBXNQ-UHFFFAOYSA-N
XLogP2.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide (CID 106000536) is N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide is O=S(=O)(Nc1cc(Cl)c(F)c(Cl)c1)c1ccc(CO)cn1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide?
The InChIKey is VAUFXSCSKSBXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2O3S/c13-9-3-8(4-10(14)12(9)15)17-21(19,20)11-2-1-7(6-18)5-16-11/h1-5,17-18H,6H2.
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide?
N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide has a molecular weight of 351.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106000536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).