N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide

C14H12N4O5S — CID 21022920

IUPACN-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide
SMILESCc1c(O)ccc2cc(S(=O)(=O)Nc3nc(=O)[nH]c(=O)[nH]3)ccc12
InChIInChI=1S/C14H12N4O5S/c1-7-10-4-3-9(6-8(10)2-5-11(7)19)24(22,23)18-12-15-13(20)17-14(21)16-12/h2-6,19H,1H3,(H3,15,16,17,18,20,21)
InChIKeyWXBAJOKEFSAMRI-UHFFFAOYSA-N
MW348.34 g/mol
LogP0.43
Rot. Bonds3

About N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide

N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide (PubChem CID 21022920) has the molecular formula C14H12N4O5S and a molecular weight of 348.34 g/mol. Its IUPAC name is N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide
PubChem CID21022920
Molecular FormulaC14H12N4O5S
Molecular Weight348.34 g/mol
Exact Mass348.05
IUPAC NameN-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide
SMILESCc1c(O)ccc2cc(S(=O)(=O)Nc3nc(=O)[nH]c(=O)[nH]3)ccc12
InChIInChI=1S/C14H12N4O5S/c1-7-10-4-3-9(6-8(10)2-5-11(7)19)24(22,23)18-12-15-13(20)17-14(21)16-12/h2-6,19H,1H3,(H3,15,16,17,18,20,21)
InChIKeyWXBAJOKEFSAMRI-UHFFFAOYSA-N
XLogP0.43
TPSA145.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide with MolForge

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Related Compounds

4-[[4-[(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 21022750
2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid
CID 20736900
3-[(5-hydroxy-6-methylnaphthalen-2-yl)sulfonylamino]-1H-1,2,4-triazole-5-carboxylic acid
CID 21022797
6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol
CID 153453254
6,8-dihydroxy-N-(5-hydroxyquinolin-8-yl)-5-methylnaphthalene-2-sulfonamide
CID 135733675
6,8-dihydroxy-N-(3-hydroxy-2-pyridinyl)-5-methylnaphthalene-2-sulfonamide
CID 21022826
1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
CID 130032637
3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid
CID 20736921
3,4-dimethyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 20961997
methyl 6-hydroxy-5-[2-hydroxy-3,6-dimethyl-5-[(4-methylphenyl)sulfonylamino]phenyl]naphthalene-2-carboxylate
CID 129144123
3-[(5-hydroxy-6-methylnaphthalen-2-yl)sulfonylamino]benzenesulfonic acid
CID 21022707
5-[(8-carboxy-6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]benzene-1,3-dicarboxylic acid
CID 21022811

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide (CID 21022920) is N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide is Cc1c(O)ccc2cc(S(=O)(=O)Nc3nc(=O)[nH]c(=O)[nH]3)ccc12.
What is the InChIKey of N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide?
The InChIKey is WXBAJOKEFSAMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O5S/c1-7-10-4-3-9(6-8(10)2-5-11(7)19)24(22,23)18-12-15-13(20)17-14(21)16-12/h2-6,19H,1H3,(H3,15,16,17,18,20,21).
What are the key properties of N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide?
N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide has a molecular weight of 348.34 g/mol, XLogP of 0.43, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-6-hydroxy-5-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 21022920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).