2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid

C14H14N2O5S — CID 1472191

IUPAC2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccn2)cc1
InChIInChI=1S/C14H14N2O5S/c1-21-11-5-7-12(8-6-11)22(19,20)16(10-14(17)18)13-4-2-3-9-15-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyMNLRUOZDLPCPLN-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.37
Rot. Bonds6

About 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid

2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid (PubChem CID 1472191) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid
PubChem CID1472191
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccn2)cc1
InChIInChI=1S/C14H14N2O5S/c1-21-11-5-7-12(8-6-11)22(19,20)16(10-14(17)18)13-4-2-3-9-15-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyMNLRUOZDLPCPLN-UHFFFAOYSA-N
XLogP1.37
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 4885397
N-(4-methoxyphenyl)-N-(pyridin-3-ylsulfonyl)glycine
CID 3235785
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-2-ylbenzenesulfonamide
CID 118527019
4-Methoxy-N-pyridin-2-yl-benzenesulfonamide
CID 1087331
1-[(3,4-Dimethoxyphenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 1091567
Ethyl 2-[[(4-methoxyphenyl)sulfonyl](2-pyridinyl)amino]acetate
CID 2765461
4-methoxy-N-(6-morpholino-3-pyridinyl)benzenesulfonamide
CID 3608807
2-(4-ethoxy-N-pyridin-3-ylsulfonylanilino)acetic acid
CID 4324387
4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669659
1-(4-Ethoxyphenyl)sulfonyl-4-pyridin-2-ylpiperazine
CID 6465816
N'~1~-[(4-methoxyphenyl)sulfonyl]-N'~2~-(pyridin-2-yl)ethanedihydrazide
CID 1897095
(R)-N-(4-Methoxyphenylsulfonyl)-N-(3-pyridylmethyl)aminobutanoic acid
CID 70941121

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid (CID 1472191) is 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid is COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccccn2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid?
The InChIKey is MNLRUOZDLPCPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-21-11-5-7-12(8-6-11)22(19,20)16(10-14(17)18)13-4-2-3-9-15-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid?
2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid has a molecular weight of 322.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-pyridin-2-ylamino]acetic acid is sourced from PubChem (CID 1472191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).