2,3-dianilinonaphthalene-1-sulfonate

C22H17N2O3S- — CID 22506510

IUPAC2,3-dianilinonaphthalene-1-sulfonate
SMILESO=S(=O)([O-])c1c(Nc2ccccc2)c(Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C22H18N2O3S/c25-28(26,27)22-19-14-8-7-9-16(19)15-20(23-17-10-3-1-4-11-17)21(22)24-18-12-5-2-6-13-18/h1-15,23-24H,(H,25,26,27)/p-1
InChIKeyMMWZCHYQYDARPF-UHFFFAOYSA-M
MW389.46 g/mol
LogP5.23
Rot. Bonds5

About 2,3-dianilinonaphthalene-1-sulfonate

2,3-dianilinonaphthalene-1-sulfonate (PubChem CID 22506510) has the molecular formula C22H17N2O3S- and a molecular weight of 389.46 g/mol. Its IUPAC name is 2,3-dianilinonaphthalene-1-sulfonate.

Molecular Properties

Compound Name2,3-dianilinonaphthalene-1-sulfonate
PubChem CID22506510
Molecular FormulaC22H17N2O3S-
Molecular Weight389.46 g/mol
Exact Mass389.10
IUPAC Name2,3-dianilinonaphthalene-1-sulfonate
SMILESO=S(=O)([O-])c1c(Nc2ccccc2)c(Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C22H18N2O3S/c25-28(26,27)22-19-14-8-7-9-16(19)15-20(23-17-10-3-1-4-11-17)21(22)24-18-12-5-2-6-13-18/h1-15,23-24H,(H,25,26,27)/p-1
InChIKeyMMWZCHYQYDARPF-UHFFFAOYSA-M
XLogP5.23
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-anilinonaphthalene-2-sulfonic acid
CID 14694055
aluminum tris(2,3-dimethylnaphthalene-1-sulfonate)
CID 102601473
disodium;3-methyl-2-[(3-methyl-1-sulfonatonaphthalen-2-yl)methyl]naphthalene-1-sulfonate
CID 175893020
dibismuth;N-phenylaniline;trisulfate
CID 174856272
4-anilino-1-diazonionaphthalene-2-sulfonate
CID 19933803
1-(3-anilino-4-methylanilino)naphthalene-2-sulfonic acid
CID 175269203
2-anilino-5-diazoniobenzenesulfonate
CID 177466574
disodium;2-aminonaphthalene-1,3-disulfonate
CID 101310222
3-nitronaphthalene-1,2-disulfonate
CID 23504320
disodium;3-tert-butylnaphthalene-1,2-disulfonate
CID 118006346
CID 50987199
CID 50987199
1-N,4-N-diphenylnaphthalene-1,4-diamine
CID 21408089

Frequently Asked Questions

What is the IUPAC name of 2,3-dianilinonaphthalene-1-sulfonate?
The IUPAC name of 2,3-dianilinonaphthalene-1-sulfonate (CID 22506510) is 2,3-dianilinonaphthalene-1-sulfonate.
What is the SMILES notation for 2,3-dianilinonaphthalene-1-sulfonate?
The canonical SMILES for 2,3-dianilinonaphthalene-1-sulfonate is O=S(=O)([O-])c1c(Nc2ccccc2)c(Nc2ccccc2)cc2ccccc12.
What is the InChIKey of 2,3-dianilinonaphthalene-1-sulfonate?
The InChIKey is MMWZCHYQYDARPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H18N2O3S/c25-28(26,27)22-19-14-8-7-9-16(19)15-20(23-17-10-3-1-4-11-17)21(22)24-18-12-5-2-6-13-18/h1-15,23-24H,(H,25,26,27)/p-1.
What are the key properties of 2,3-dianilinonaphthalene-1-sulfonate?
2,3-dianilinonaphthalene-1-sulfonate has a molecular weight of 389.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dianilinonaphthalene-1-sulfonate is sourced from PubChem (CID 22506510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).