7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid

C11H12N2O3S — CID 167553927

IUPAC7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid
SMILESCc1cc(S(=O)(=O)O)c2cc(NN)ccc2c1
InChIInChI=1S/C11H12N2O3S/c1-7-4-8-2-3-9(13-12)6-10(8)11(5-7)17(14,15)16/h2-6,13H,12H2,1H3,(H,14,15,16)
InChIKeyXMDGMKFSDWFQGM-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.68
Rot. Bonds2

About 7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid

7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid (PubChem CID 167553927) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid
PubChem CID167553927
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid
SMILESCc1cc(S(=O)(=O)O)c2cc(NN)ccc2c1
InChIInChI=1S/C11H12N2O3S/c1-7-4-8-2-3-9(13-12)6-10(8)11(5-7)17(14,15)16/h2-6,13H,12H2,1H3,(H,14,15,16)
InChIKeyXMDGMKFSDWFQGM-UHFFFAOYSA-N
XLogP1.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;3,7-dimethylnaphthalene-1-sulfonic acid;hydride
CID 173399214
7-iodo-3-methylnaphthalene-1-sulfonic acid
CID 90369019
3-methyl-7-[(6-methyl-8-sulfonaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid
CID 102104390
(6-methylnaphthalen-2-yl)hydrazine
CID 59593900
3,5-dimethylnaphthalene-1-sulfonic acid
CID 54368357
4-methyl-6-(methylamino)naphthalene-2-sulfonic acid
CID 54239227
7-[[2-(carbamoylamino)-4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]diazenyl]-3-methylnaphthalene-1,6-disulfonic acid
CID 20665075
3,7-diaminonaphthalene-1-sulfonic acid
CID 18431403
2-(4-aminoanilino)-5-methylbenzenesulfonic acid
CID 59946596
2,3-diamino-5-methylbenzenesulfonic acid
CID 140869924
2-amino-6-methylnaphthalene-1-sulfonic acid
CID 18729054
1,7-dimethylnaphthalene-2-sulfonic acid
CID 101323785

Frequently Asked Questions

What is the IUPAC name of 7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid?
The IUPAC name of 7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid (CID 167553927) is 7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid?
The canonical SMILES for 7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid is Cc1cc(S(=O)(=O)O)c2cc(NN)ccc2c1.
What is the InChIKey of 7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid?
The InChIKey is XMDGMKFSDWFQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-7-4-8-2-3-9(13-12)6-10(8)11(5-7)17(14,15)16/h2-6,13H,12H2,1H3,(H,14,15,16).
What are the key properties of 7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid?
7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid has a molecular weight of 252.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydrazinyl-3-methylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 167553927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).