2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid

C12H14N4O4S — CID 107339860

IUPAC2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid
SMILESCCc1ncc(S(=O)(=O)Nc2ccc(CC(=O)O)nc2)[nH]1
InChIInChI=1S/C12H14N4O4S/c1-2-10-14-7-11(15-10)21(19,20)16-9-4-3-8(13-6-9)5-12(17)18/h3-4,6-7,16H,2,5H2,1H3,(H,14,15)(H,17,18)
InChIKeyKQPKYBSPDRJTDE-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.80
Rot. Bonds6

About 2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid

2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid (PubChem CID 107339860) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid
PubChem CID107339860
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid
SMILESCCc1ncc(S(=O)(=O)Nc2ccc(CC(=O)O)nc2)[nH]1
InChIInChI=1S/C12H14N4O4S/c1-2-10-14-7-11(15-10)21(19,20)16-9-4-3-8(13-6-9)5-12(17)18/h3-4,6-7,16H,2,5H2,1H3,(H,14,15)(H,17,18)
InChIKeyKQPKYBSPDRJTDE-UHFFFAOYSA-N
XLogP0.80
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(methylsulfamoylamino)-2-pyridinyl]acetic acid
CID 107339875
2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339836
2-[5-[(5-bromothiophen-2-yl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339698
2-[5-[[butyl(methyl)sulfamoyl]amino]-2-pyridinyl]acetic acid
CID 107339728
(2R)-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-3-hydroxypropanoic acid
CID 80749768
2-ethyl-N-[(2-ethylphenyl)methyl]-1H-imidazole-5-sulfonamide
CID 64693083
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-ethyl-N-(5-iodo-2-pyridinyl)-1H-imidazole-5-sulfonamide
CID 65098522
2-[5-(pyrrolidin-1-ylsulfonylamino)-2-pyridinyl]acetic acid
CID 107339762
3-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 77021138
4-bromo-2-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 107799032
2-[5-[(4-methoxy-4-oxobutyl)sulfonylamino]-2-pyridinyl]acetic acid
CID 107339625

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid (CID 107339860) is 2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid is CCc1ncc(S(=O)(=O)Nc2ccc(CC(=O)O)nc2)[nH]1.
What is the InChIKey of 2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid?
The InChIKey is KQPKYBSPDRJTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-2-10-14-7-11(15-10)21(19,20)16-9-4-3-8(13-6-9)5-12(17)18/h3-4,6-7,16H,2,5H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid?
2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid has a molecular weight of 310.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-ethyl-1H-imidazol-5-yl)sulfonylamino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).