2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid

C15H15NO7S — CID 20736900

IUPAC2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid
SMILESCc1c(O)ccc2cc(S(=O)(=O)N(CC(=O)O)CC(=O)O)ccc12
InChIInChI=1S/C15H15NO7S/c1-9-12-4-3-11(6-10(12)2-5-13(9)17)24(22,23)16(7-14(18)19)8-15(20)21/h2-6,17H,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyFULDPZQDPYLFCG-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.01
Rot. Bonds6

About 2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid

2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid (PubChem CID 20736900) has the molecular formula C15H15NO7S and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid
PubChem CID20736900
Molecular FormulaC15H15NO7S
Molecular Weight353.35 g/mol
Exact Mass353.06
IUPAC Name2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid
SMILESCc1c(O)ccc2cc(S(=O)(=O)N(CC(=O)O)CC(=O)O)ccc12
InChIInChI=1S/C15H15NO7S/c1-9-12-4-3-11(6-10(12)2-5-13(9)17)24(22,23)16(7-14(18)19)8-15(20)21/h2-6,17H,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyFULDPZQDPYLFCG-UHFFFAOYSA-N
XLogP1.01
TPSA132.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol
CID 153453254
2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid
CID 705727
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
5-[ethyl(2-methylpropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 43273626
4-[[4-[(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonic acid
CID 21022750
3-[2-[2-carboxyethyl(naphthalen-2-ylsulfonyl)amino]ethyl-naphthalen-2-ylsulfonylamino]propanoic acid
CID 151966350
2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 61008189
2-[(4-methylsulfonylphenyl)sulfonyl-prop-2-ynylamino]acetic acid
CID 79272293
2-[(4-methylphenyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258315
4-(diethylsulfamoyl)-2-hydroxybenzoic acid
CID 23009711
2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100533072
2-[(3-fluoro-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62032432

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid (CID 20736900) is 2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid is Cc1c(O)ccc2cc(S(=O)(=O)N(CC(=O)O)CC(=O)O)ccc12.
What is the InChIKey of 2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid?
The InChIKey is FULDPZQDPYLFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO7S/c1-9-12-4-3-11(6-10(12)2-5-13(9)17)24(22,23)16(7-14(18)19)8-15(20)21/h2-6,17H,7-8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid?
2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid has a molecular weight of 353.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(6-hydroxy-5-methylnaphthalen-2-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 20736900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).