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

C24H14F5NO5S2 — CID 122194411

IUPACN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(27,28)29/h1-12,30-31H
InChIKeyVPUOBTGZCXRQOY-UHFFFAOYSA-N
MW555.50 g/mol
LogP6.33
Rot. Bonds7

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

N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 122194411) has the molecular formula C24H14F5NO5S2 and a molecular weight of 555.50 g/mol. Its IUPAC name is N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID122194411
Molecular FormulaC24H14F5NO5S2
Molecular Weight555.50 g/mol
Exact Mass555.02
IUPAC NameN-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)s1)c1c(F)ccc(O)c1F
InChIInChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(27,28)29/h1-12,30-31H
InChIKeyVPUOBTGZCXRQOY-UHFFFAOYSA-N
XLogP6.33
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.50
LogP ≤ 56.33
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]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 122194411) is N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide is O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3OC(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-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is VPUOBTGZCXRQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F5NO5S2/c25-15-8-9-16(31)22(26)21(15)23(32)19-11-10-18(36-19)13-4-3-5-14(12-13)30-37(33,34)20-7-2-1-6-17(20)35-24(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-(trifluoromethoxy)benzenesulfonamide?
N-[3-[5-(2,6-difluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 555.50 g/mol, XLogP of 6.33, 7 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]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 122194411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).