8-hydroxynaphthalene-1,3,6-trisulfonamide

C10H11N3O7S3 — CID 51056626

IUPAC8-hydroxynaphthalene-1,3,6-trisulfonamide
SMILESNS(=O)(=O)c1cc(O)c2c(S(N)(=O)=O)cc(S(N)(=O)=O)cc2c1
InChIInChI=1S/C10H11N3O7S3/c11-21(15,16)6-1-5-2-7(22(12,17)18)4-9(23(13,19)20)10(5)8(14)3-6/h1-4,14H,(H2,11,15,16)(H2,12,17,18)(H2,13,19,20)
InChIKeyZTOXJCHSZMIROI-UHFFFAOYSA-N
MW381.41 g/mol
LogP-1.51
Rot. Bonds3

About 8-hydroxynaphthalene-1,3,6-trisulfonamide

8-hydroxynaphthalene-1,3,6-trisulfonamide (PubChem CID 51056626) has the molecular formula C10H11N3O7S3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 8-hydroxynaphthalene-1,3,6-trisulfonamide.

Molecular Properties

Compound Name8-hydroxynaphthalene-1,3,6-trisulfonamide
PubChem CID51056626
Molecular FormulaC10H11N3O7S3
Molecular Weight381.41 g/mol
Exact Mass380.98
IUPAC Name8-hydroxynaphthalene-1,3,6-trisulfonamide
SMILESNS(=O)(=O)c1cc(O)c2c(S(N)(=O)=O)cc(S(N)(=O)=O)cc2c1
InChIInChI=1S/C10H11N3O7S3/c11-21(15,16)6-1-5-2-7(22(12,17)18)4-9(23(13,19)20)10(5)8(14)3-6/h1-4,14H,(H2,11,15,16)(H2,12,17,18)(H2,13,19,20)
InChIKeyZTOXJCHSZMIROI-UHFFFAOYSA-N
XLogP-1.51
TPSA200.71 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydroxynaphthalene-1,3-disulfonamide
CID 25047825
Chromotropic acid sodium salt
CID 88518702
6-amino-4-hydroxynaphthalene-2-sulfonamide
CID 22766301
sodium 8-hydroxy-3,6-bis(methylsulfamoyl)naphthalene-1-sulfonic acid
CID 126465860
disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride
CID 173012475
sodium 8-hydroxy-3,6-bis(methylsulfamoyl)naphthalene-1-sulfonate
CID 23689885
3-hydroxynaphthalene-2,7-disulfonamide
CID 70464253
4,5,7-trihydroxynaphthalene-2-sulfonic acid
CID 82254474
4-amino-5-bromobenzene-1,3-disulfonamide
CID 22323981
5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid
CID 143211913
7-amino-4-hydroxy-5-(2-sulfopropan-2-yl)naphthalene-2-sulfonic acid
CID 56973887
4-(ethylamino)-5-hydroxynaphthalene-2,7-disulfonic acid
CID 23320334

Frequently Asked Questions

What is the IUPAC name of 8-hydroxynaphthalene-1,3,6-trisulfonamide?
The IUPAC name of 8-hydroxynaphthalene-1,3,6-trisulfonamide (CID 51056626) is 8-hydroxynaphthalene-1,3,6-trisulfonamide.
What is the SMILES notation for 8-hydroxynaphthalene-1,3,6-trisulfonamide?
The canonical SMILES for 8-hydroxynaphthalene-1,3,6-trisulfonamide is NS(=O)(=O)c1cc(O)c2c(S(N)(=O)=O)cc(S(N)(=O)=O)cc2c1.
What is the InChIKey of 8-hydroxynaphthalene-1,3,6-trisulfonamide?
The InChIKey is ZTOXJCHSZMIROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O7S3/c11-21(15,16)6-1-5-2-7(22(12,17)18)4-9(23(13,19)20)10(5)8(14)3-6/h1-4,14H,(H2,11,15,16)(H2,12,17,18)(H2,13,19,20).
What are the key properties of 8-hydroxynaphthalene-1,3,6-trisulfonamide?
8-hydroxynaphthalene-1,3,6-trisulfonamide has a molecular weight of 381.41 g/mol, XLogP of -1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxynaphthalene-1,3,6-trisulfonamide is sourced from PubChem (CID 51056626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).