2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid

C17H18FNO6S — CID 100544131

IUPAC2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)ccc2OC)cc1F
InChIInChI=1S/C17H18FNO6S/c1-11-4-6-16(25-3)14(8-11)19(10-17(20)21)26(22,23)12-5-7-15(24-2)13(18)9-12/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyNWKUABHHPFCUIL-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.43
Rot. Bonds7

About 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid

2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid (PubChem CID 100544131) has the molecular formula C17H18FNO6S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
PubChem CID100544131
Molecular FormulaC17H18FNO6S
Molecular Weight383.40 g/mol
Exact Mass383.08
IUPAC Name2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)ccc2OC)cc1F
InChIInChI=1S/C17H18FNO6S/c1-11-4-6-16(25-3)14(8-11)19(10-17(20)21)26(22,23)12-5-7-15(24-2)13(18)9-12/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyNWKUABHHPFCUIL-UHFFFAOYSA-N
XLogP2.43
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoro-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100543852
2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100541360
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 2273005
2-(3-chloro-N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetic acid
CID 100544359
2-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)acetic acid
CID 28590072
2-(4-bromo-N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100542408
N-(2,4-dimethylphenyl)-N-ethyl-3-fluoro-4-methoxybenzenesulfonamide
CID 94622875
2-[tert-butyl-(3-fluoro-4-methoxyphenyl)sulfonylamino]acetic acid
CID 79262278
N-(2-fluorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2280003
2-[(3-fluoro-4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetic acid
CID 62032432
N-(2,5-dimethylphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 94622646
2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100532770

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid?
The IUPAC name of 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid (CID 100544131) is 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid?
The canonical SMILES for 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(C)ccc2OC)cc1F.
What is the InChIKey of 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid?
The InChIKey is NWKUABHHPFCUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO6S/c1-11-4-6-16(25-3)14(8-11)19(10-17(20)21)26(22,23)12-5-7-15(24-2)13(18)9-12/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid?
2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid has a molecular weight of 383.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methoxy-5-methylanilino)acetic acid is sourced from PubChem (CID 100544131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).