7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide

C24H16F6N2O5S2 — CID 87678673

IUPAC7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide
SMILESNS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)c(S(N)(=O)=O)c2cc(O)ccc2c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H16F6N2O5S2/c25-23(26,27)17-7-3-1-5-14(17)19-13-10-9-12(33)11-16(13)21(38(31,34)35)20(22(19)39(32,36)37)15-6-2-4-8-18(15)24(28,29)30/h1-11,33H,(H2,31,34,35)(H2,32,36,37)
InChIKeyWMPFAQSPGVSVHT-UHFFFAOYSA-N
MW590.52 g/mol
LogP5.21
Rot. Bonds4

About 7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide

7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide (PubChem CID 87678673) has the molecular formula C24H16F6N2O5S2 and a molecular weight of 590.52 g/mol. Its IUPAC name is 7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide.

Molecular Properties

Compound Name7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide
PubChem CID87678673
Molecular FormulaC24H16F6N2O5S2
Molecular Weight590.52 g/mol
Exact Mass590.04
IUPAC Name7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide
SMILESNS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)c(S(N)(=O)=O)c2cc(O)ccc2c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H16F6N2O5S2/c25-23(26,27)17-7-3-1-5-14(17)19-13-10-9-12(33)11-16(13)21(38(31,34)35)20(22(19)39(32,36)37)15-6-2-4-8-18(15)24(28,29)30/h1-11,33H,(H2,31,34,35)(H2,32,36,37)
InChIKeyWMPFAQSPGVSVHT-UHFFFAOYSA-N
XLogP5.21
TPSA140.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.52
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-bis(2,3-dichlorophenyl)-7-hydroxynaphthalene-1,3-disulfonamide
CID 69073232
2,4-bis(2,6-dimethylphenyl)-7-hydroxynaphthalene-1,3-disulfonamide
CID 69068783
4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
CID 118823457
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
2-[2,5-bis(2-methylsulfonylphenyl)-3-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]phenyl]benzenesulfonamide
CID 173253581
2-sulfanyl-6-(trifluoromethyl)benzenesulfonamide
CID 23448648
3-amino-2-[2-(trifluoromethyl)phenyl]phenol;boric acid;hydrochloride
CID 158666373
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
2-(trifluoromethyl)phenol
CID 162212145
2,3-diamino-4-[4-hydroxy-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol
CID 141049280
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
4-[7-[2-(trifluoromethyl)phenyl]quinolin-4-yl]phenol
CID 174480072

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide?
The IUPAC name of 7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide (CID 87678673) is 7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide.
What is the SMILES notation for 7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide?
The canonical SMILES for 7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide is NS(=O)(=O)c1c(-c2ccccc2C(F)(F)F)c(S(N)(=O)=O)c2cc(O)ccc2c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide?
The InChIKey is WMPFAQSPGVSVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N2O5S2/c25-23(26,27)17-7-3-1-5-14(17)19-13-10-9-12(33)11-16(13)21(38(31,34)35)20(22(19)39(32,36)37)15-6-2-4-8-18(15)24(28,29)30/h1-11,33H,(H2,31,34,35)(H2,32,36,37).
What are the key properties of 7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide?
7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide has a molecular weight of 590.52 g/mol, XLogP of 5.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2,4-bis[2-(trifluoromethyl)phenyl]naphthalene-1,3-disulfonamide is sourced from PubChem (CID 87678673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).