4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide

C19H11F3N2O6S2 — CID 126739317

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide
SMILESO=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)c2ccccc12
InChIInChI=1S/C19H11F3N2O6S2/c20-19(21,22)32(29,30)23-31(27,28)16-10-9-15(11-5-1-2-6-12(11)16)24-17(25)13-7-3-4-8-14(13)18(24)26/h1-10,23H
InChIKeySEHMGIALDNARMG-UHFFFAOYSA-N
MW484.43 g/mol
LogP2.77
Rot. Bonds4

About 4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide

4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide (PubChem CID 126739317) has the molecular formula C19H11F3N2O6S2 and a molecular weight of 484.43 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide
PubChem CID126739317
Molecular FormulaC19H11F3N2O6S2
Molecular Weight484.43 g/mol
Exact Mass484.00
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide
SMILESO=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)c2ccccc12
InChIInChI=1S/C19H11F3N2O6S2/c20-19(21,22)32(29,30)23-31(27,28)16-10-9-15(11-5-1-2-6-12(11)16)24-17(25)13-7-3-4-8-14(13)18(24)26/h1-10,23H
InChIKeySEHMGIALDNARMG-UHFFFAOYSA-N
XLogP2.77
TPSA117.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide (CID 126739317) is 4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide is O=C1c2ccccc2C(=O)N1c1ccc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)c2ccccc12.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide?
The InChIKey is SEHMGIALDNARMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2O6S2/c20-19(21,22)32(29,30)23-31(27,28)16-10-9-15(11-5-1-2-6-12(11)16)24-17(25)13-7-3-4-8-14(13)18(24)26/h1-10,23H.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide?
4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide has a molecular weight of 484.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(trifluoromethylsulfonyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 126739317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).