2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid

C16H17NO5S — CID 22193709

IUPAC2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid
SMILESCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17NO5S/c1-12-7-9-13(10-8-12)23(20,21)17(11-16(18)19)14-5-3-4-6-15(14)22-2/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeySMXMNTDYRZRWTM-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.28
Rot. Bonds6

About 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid (PubChem CID 22193709) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid
PubChem CID22193709
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid
SMILESCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H17NO5S/c1-12-7-9-13(10-8-12)23(20,21)17(11-16(18)19)14-5-3-4-6-15(14)22-2/h3-10H,11H2,1-2H3,(H,18,19)
InChIKeySMXMNTDYRZRWTM-UHFFFAOYSA-N
XLogP2.28
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(((2-Methoxyphenyl)methylamino)sulfonyl)benzoic acid
CID 2360199
3-(Benzyl(2-methoxyphenyl)sulfamoyl)benzoic acid
CID 2396426
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
N-(2-methoxyphenyl)-4-methyl-N-(oxiran-2-ylmethyl)benzenesulfonamide
CID 3133076
N-[(4-methoxyphenyl)sulfonyl]-N-phenylglycine
CID 362726
N-[(4-ethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycine
CID 802604
N-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 2915393
N-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-4-methyl-benzenesulfonamide
CID 11327137
2-(4-methyl-N-(4-(tosyloxy)phenyl)phenylsulfonamido)acetic acid
CID 286310
N-(2-hydroxy-3-piperidin-1-ylpropyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 648178
N-(2-ethoxyphenyl)-N-(phenylsulfonyl)glycine
CID 807924
N-Cyclohexyl-2-[(2-ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-acetamide
CID 998717

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid (CID 22193709) is 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid is COc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The InChIKey is SMXMNTDYRZRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-12-7-9-13(10-8-12)23(20,21)17(11-16(18)19)14-5-3-4-6-15(14)22-2/h3-10H,11H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid?
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid has a molecular weight of 335.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 22193709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).