2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid

C8H11N3O4S — CID 107339875

IUPAC2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
SMILESCNS(=O)(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C8H11N3O4S/c1-9-16(14,15)11-7-3-2-6(10-5-7)4-8(12)13/h2-3,5,9,11H,4H2,1H3,(H,12,13)
InChIKeyMDYUZPZOLUKBCW-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.42
Rot. Bonds5

About 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid

2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid (PubChem CID 107339875) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
PubChem CID107339875
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
SMILESCNS(=O)(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C8H11N3O4S/c1-9-16(14,15)11-7-3-2-6(10-5-7)4-8(12)13/h2-3,5,9,11H,4H2,1H3,(H,12,13)
InChIKeyMDYUZPZOLUKBCW-UHFFFAOYSA-N
XLogP-0.42
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
CID 107339762
2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339625
2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
CID 107339728
2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339860
2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339836
2-[5-[(4-methylpiperidin-1-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339881
2-[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]-2-pyridinyl]acetic acid
CID 107339792
2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339698
2-(5-formamido-2-pyridinyl)acetic acid
CID 107339372
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-(dimethylcarbamoylamino)-2-pyridinyl]acetic acid
CID 107339518
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid (CID 107339875) is 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid is CNS(=O)(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid?
The InChIKey is MDYUZPZOLUKBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c1-9-16(14,15)11-7-3-2-6(10-5-7)4-8(12)13/h2-3,5,9,11H,4H2,1H3,(H,12,13).
What are the key properties of 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid?
2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid has a molecular weight of 245.26 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).