N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide

C22H16F2N2O4S2 — CID 123590954

IUPACN-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc(C(O)c3c(F)ccc(O)c3F)s2)c1)c1cccnc1
InChIInChI=1S/C22H16F2N2O4S2/c23-16-6-7-17(27)21(24)20(16)22(28)19-9-8-18(31-19)13-3-1-4-14(11-13)26-32(29,30)15-5-2-10-25-12-15/h1-12,22,26-28H
InChIKeyAKXXVUGAMYAXBF-UHFFFAOYSA-N
MW474.51 g/mol
LogP4.68
Rot. Bonds6

About N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide

N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide (PubChem CID 123590954) has the molecular formula C22H16F2N2O4S2 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide
PubChem CID123590954
Molecular FormulaC22H16F2N2O4S2
Molecular Weight474.51 g/mol
Exact Mass474.05
IUPAC NameN-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc(C(O)c3c(F)ccc(O)c3F)s2)c1)c1cccnc1
InChIInChI=1S/C22H16F2N2O4S2/c23-16-6-7-17(27)21(24)20(16)22(28)19-9-8-18(31-19)13-3-1-4-14(11-13)26-32(29,30)15-5-2-10-25-12-15/h1-12,22,26-28H
InChIKeyAKXXVUGAMYAXBF-UHFFFAOYSA-N
XLogP4.68
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide (CID 123590954) is N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1cccc(-c2ccc(C(O)c3c(F)ccc(O)c3F)s2)c1)c1cccnc1.
What is the InChIKey of N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide?
The InChIKey is AKXXVUGAMYAXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O4S2/c23-16-6-7-17(27)21(24)20(16)22(28)19-9-8-18(31-19)13-3-1-4-14(11-13)26-32(29,30)15-5-2-10-25-12-15/h1-12,22,26-28H.
What are the key properties of N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide?
N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide has a molecular weight of 474.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(2,6-difluoro-3-hydroxyphenyl)-hydroxymethyl]thiophen-2-yl]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 123590954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).