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

C24H14F5NO4S2 — CID 122194412

IUPACN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C24H14F5NO4S2/c25-16-8-9-17(31)22(26)21(16)23(32)19-11-10-18(35-19)13-4-3-5-14(12-13)30-36(33,34)20-7-2-1-6-15(20)24(27,28)29/h1-12,30-31H
InChIKeyXPRMXEDUCYZGTN-UHFFFAOYSA-N
MW539.50 g/mol
LogP6.45
Rot. Bonds6

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

N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 122194412) has the molecular formula C24H14F5NO4S2 and a molecular weight of 539.50 g/mol. Its IUPAC name is N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID122194412
Molecular FormulaC24H14F5NO4S2
Molecular Weight539.50 g/mol
Exact Mass539.03
IUPAC NameN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C24H14F5NO4S2/c25-16-8-9-17(31)22(26)21(16)23(32)19-11-10-18(35-19)13-4-3-5-14(12-13)30-36(33,34)20-7-2-1-6-15(20)24(27,28)29/h1-12,30-31H
InChIKeyXPRMXEDUCYZGTN-UHFFFAOYSA-N
XLogP6.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.50
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide (CID 122194412) is N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide is O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)s1)c1c(F)ccc(O)c1F.
What is the InChIKey of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XPRMXEDUCYZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F5NO4S2/c25-16-8-9-17(31)22(26)21(16)23(32)19-11-10-18(35-19)13-4-3-5-14(12-13)30-36(33,34)20-7-2-1-6-15(20)24(27,28)29/h1-12,30-31H.
What are the key properties of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 539.50 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 122194412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).