2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid

C19H17NO6S — CID 174785200

IUPAC2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C19H17NO6S/c1-26-14-7-9-15(10-8-14)27(24,25)20(12-18(21)22)17-11-6-13-4-2-3-5-16(13)19(17)23/h2-11,23H,12H2,1H3,(H,21,22)
InChIKeyCWXZLWAWILTBOP-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.83
Rot. Bonds6

About 2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid

2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid (PubChem CID 174785200) has the molecular formula C19H17NO6S and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid
PubChem CID174785200
Molecular FormulaC19H17NO6S
Molecular Weight387.41 g/mol
Exact Mass387.08
IUPAC Name2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc3ccccc3c2O)cc1
InChIInChI=1S/C19H17NO6S/c1-26-14-7-9-15(10-8-14)27(24,25)20(12-18(21)22)17-11-6-13-4-2-3-5-16(13)19(17)23/h2-11,23H,12H2,1H3,(H,21,22)
InChIKeyCWXZLWAWILTBOP-UHFFFAOYSA-N
XLogP2.83
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetic acid
CID 77461035
2-[benzenesulfonyl-[4-[benzenesulfonyl(carboxymethyl)amino]naphthalen-1-yl]amino]acetic acid
CID 122184784
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
(2S)-2-[[4-[carboxymethyl-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]-4-methylsulfonylbutanoic acid
CID 155547540
2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100532770
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-(1-oxidopyridin-1-ium-2-yl)ethenyl]anilino]acetic acid
CID 139895022
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-naphthalen-1-ylacetamide
CID 999354
2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid
CID 139895047
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide
CID 177380626
2-[[4-[carboxymethyl-(4-cyanophenyl)sulfonylamino]naphthalen-1-yl]-(4-cyanophenyl)sulfonylamino]acetic acid
CID 122184789
2-[N-(4-methoxyphenyl)sulfonyl-2-[(Z)-2-pyridin-3-ylethenyl]anilino]acetic acid
CID 139895004

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid (CID 174785200) is 2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc3ccccc3c2O)cc1.
What is the InChIKey of 2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid?
The InChIKey is CWXZLWAWILTBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6S/c1-26-14-7-9-15(10-8-14)27(24,25)20(12-18(21)22)17-11-6-13-4-2-3-5-16(13)19(17)23/h2-11,23H,12H2,1H3,(H,21,22).
What are the key properties of 2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid?
2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid has a molecular weight of 387.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 174785200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).