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

C22H14F2N2O4S2 — CID 122194413

IUPACN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C22H14F2N2O4S2/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/h1-12,26-27H
InChIKeyNSJGLJWRPZGJSH-UHFFFAOYSA-N
MW472.49 g/mol
LogP4.83
Rot. Bonds6

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

N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide (PubChem CID 122194413) has the molecular formula C22H14F2N2O4S2 and a molecular weight of 472.49 g/mol. Its IUPAC name is N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide
PubChem CID122194413
Molecular FormulaC22H14F2N2O4S2
Molecular Weight472.49 g/mol
Exact Mass472.04
IUPAC NameN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C22H14F2N2O4S2/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/h1-12,26-27H
InChIKeyNSJGLJWRPZGJSH-UHFFFAOYSA-N
XLogP4.83
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide (CID 122194413) is N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide is O=C(c1ccc(-c2cccc(NS(=O)(=O)c3cccnc3)c2)s1)c1c(F)ccc(O)c1F.
What is the InChIKey of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide?
The InChIKey is NSJGLJWRPZGJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O4S2/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/h1-12,26-27H.
What are the key properties of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide?
N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide has a molecular weight of 472.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 122194413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).