(4-sulfonaphthalen-1-yl)azanium

C10H10NO3S+ — CID 148683072

IUPAC(4-sulfonaphthalen-1-yl)azanium
SMILES[NH3+]c1ccc(S(=O)(=O)O)c2ccccc12
InChIInChI=1S/C10H9NO3S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H,12,13,14)/p+1
InChIKeyNRZRRZAVMCAKEP-UHFFFAOYSA-O
MW224.26 g/mol
LogP0.96
Rot. Bonds1

About (4-sulfonaphthalen-1-yl)azanium

(4-sulfonaphthalen-1-yl)azanium (PubChem CID 148683072) has the molecular formula C10H10NO3S+ and a molecular weight of 224.26 g/mol. Its IUPAC name is (4-sulfonaphthalen-1-yl)azanium.

Molecular Properties

Compound Name(4-sulfonaphthalen-1-yl)azanium
PubChem CID148683072
Molecular FormulaC10H10NO3S+
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name(4-sulfonaphthalen-1-yl)azanium
SMILES[NH3+]c1ccc(S(=O)(=O)O)c2ccccc12
InChIInChI=1S/C10H9NO3S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H,12,13,14)/p+1
InChIKeyNRZRRZAVMCAKEP-UHFFFAOYSA-O
XLogP0.96
TPSA82.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357
4-hydroxynaphthalene-1-sulfonic acid
CID 6791
4-aminonaphthalene-1-sulfonic acid
CID 6790
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
naphthalene-1-sulfonic acid
CID 158712346
4-anilinonaphthalene-1-sulfonic acid
CID 23333412
aluminum naphthalene-1-sulfonic acid
CID 19753639
5-sulfonaphthalene-1-sulfonate
CID 3517121
CID 87877281
CID 87877281
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
CID 172685149
CID 172685149

Frequently Asked Questions

What is the IUPAC name of (4-sulfonaphthalen-1-yl)azanium?
The IUPAC name of (4-sulfonaphthalen-1-yl)azanium (CID 148683072) is (4-sulfonaphthalen-1-yl)azanium.
What is the SMILES notation for (4-sulfonaphthalen-1-yl)azanium?
The canonical SMILES for (4-sulfonaphthalen-1-yl)azanium is [NH3+]c1ccc(S(=O)(=O)O)c2ccccc12.
What is the InChIKey of (4-sulfonaphthalen-1-yl)azanium?
The InChIKey is NRZRRZAVMCAKEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9NO3S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6H,11H2,(H,12,13,14)/p+1.
What are the key properties of (4-sulfonaphthalen-1-yl)azanium?
(4-sulfonaphthalen-1-yl)azanium has a molecular weight of 224.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfonaphthalen-1-yl)azanium is sourced from PubChem (CID 148683072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).