sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride

C12H12NNaO7S2 — CID 174665059

IUPACsodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride
SMILESCC(=O)Nc1cc(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc12.[H-].[Na+]
InChIInChI=1S/C12H11NO7S2.Na.H/c1-7(14)13-10-6-11(21(15,16)17)12(22(18,19)20)9-5-3-2-4-8(9)10;;/h2-6H,1H3,(H,13,14)(H,15,16,17)(H,18,19,20);;/q;+1;-1
InChIKeyLGSMBIQPLBEXPB-UHFFFAOYSA-N
MW369.35 g/mol
LogP-1.59
Rot. Bonds3

About sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride

sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride (PubChem CID 174665059) has the molecular formula C12H12NNaO7S2 and a molecular weight of 369.35 g/mol. Its IUPAC name is sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride.

Molecular Properties

Compound Namesodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride
PubChem CID174665059
Molecular FormulaC12H12NNaO7S2
Molecular Weight369.35 g/mol
Exact Mass369.00
IUPAC Namesodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride
SMILESCC(=O)Nc1cc(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc12.[H-].[Na+]
InChIInChI=1S/C12H11NO7S2.Na.H/c1-7(14)13-10-6-11(21(15,16)17)12(22(18,19)20)9-5-3-2-4-8(9)10;;/h2-6H,1H3,(H,13,14)(H,15,16,17)(H,18,19,20);;/q;+1;-1
InChIKeyLGSMBIQPLBEXPB-UHFFFAOYSA-N
XLogP-1.59
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 173174462
CID 173174462
acetic acid;naphthalene-1,2-disulfonic acid
CID 162339249
N-(3,4-diaminonaphthalen-1-yl)acetamide
CID 121009554
2-acetamido-4-aminobenzenesulfonic acid
CID 19766995
4-[[(Z)-3-hydroxybut-2-enoyl]amino]naphthalene-1-sulfonic acid
CID 54719018
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
5-acetamido-2-amino-4-chlorobenzenesulfonic acid
CID 23374009
5-acetamido-2-ethyl-4-methylbenzenesulfonic acid
CID 163508311
1-hydroxy-4-[[5-[[2-[3-[(4-hydroxy-3-sulfonaphthalen-1-yl)carbamoyl]-4-methylanilino]-2-oxoacetyl]amino]-2-methylbenzoyl]amino]naphthalene-2-sulfonic acid
CID 88689666
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
2-benzamido-3-(hydroxyamino)naphthalene-1-sulfonic acid
CID 154123187
4-(methylcarbamothioylamino)naphthalene-1-sulfonic acid
CID 59940230

Frequently Asked Questions

What is the IUPAC name of sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride?
The IUPAC name of sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride (CID 174665059) is sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride.
What is the SMILES notation for sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride?
The canonical SMILES for sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride is CC(=O)Nc1cc(S(=O)(=O)O)c(S(=O)(=O)O)c2ccccc12.[H-].[Na+].
What is the InChIKey of sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride?
The InChIKey is LGSMBIQPLBEXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO7S2.Na.H/c1-7(14)13-10-6-11(21(15,16)17)12(22(18,19)20)9-5-3-2-4-8(9)10;;/h2-6H,1H3,(H,13,14)(H,15,16,17)(H,18,19,20);;/q;+1;-1.
What are the key properties of sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride?
sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride has a molecular weight of 369.35 g/mol, XLogP of -1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-acetamidonaphthalene-1,2-disulfonic acid;hydride is sourced from PubChem (CID 174665059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).