2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid

C21H16Cl2N4O4S — CID 59276864

IUPAC2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
SMILESNc1cccnc1-n1ccc2cc(N(CC(=O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C21H16Cl2N4O4S/c22-14-9-15(23)11-17(10-14)32(30,31)27(12-20(28)29)16-3-4-19-13(8-16)5-7-26(19)21-18(24)2-1-6-25-21/h1-11H,12,24H2,(H,28,29)
InChIKeyXALUENKAKAPRBD-UHFFFAOYSA-N
MW491.36 g/mol
LogP4.19
Rot. Bonds6

About 2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid

2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid (PubChem CID 59276864) has the molecular formula C21H16Cl2N4O4S and a molecular weight of 491.36 g/mol. Its IUPAC name is 2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
PubChem CID59276864
Molecular FormulaC21H16Cl2N4O4S
Molecular Weight491.36 g/mol
Exact Mass490.03
IUPAC Name2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
SMILESNc1cccnc1-n1ccc2cc(N(CC(=O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21
InChIInChI=1S/C21H16Cl2N4O4S/c22-14-9-15(23)11-17(10-14)32(30,31)27(12-20(28)29)16-3-4-19-13(8-16)5-7-26(19)21-18(24)2-1-6-25-21/h1-11H,12,24H2,(H,28,29)
InChIKeyXALUENKAKAPRBD-UHFFFAOYSA-N
XLogP4.19
TPSA118.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.36
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid
CID 59277445
2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59277248
2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylpyrazol-4-yl)indol-5-yl]amino]acetic acid
CID 59277451
2-[(3,5-dichlorophenyl)sulfonyl-[1-(2,6-dimethylpyrimidin-4-yl)indol-5-yl]amino]acetic acid
CID 59276754
tert-butyl 2-[[1-(3-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 59277161
2-[(3,5-dichlorophenyl)sulfonyl-[1-(5-methylsulfanylpyrazin-2-yl)indol-5-yl]amino]acetic acid
CID 59277010
2-[[1-(2-cyanophenyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59277065
2-[(3,5-dichlorophenyl)sulfonyl-[1-(6-oxo-1H-pyridazin-3-yl)indol-5-yl]amino]acetic acid
CID 59276848
2-[(3,5-dichlorophenyl)sulfonyl-[1-[6-(methylamino)pyridazin-3-yl]indol-5-yl]amino]acetic acid
CID 59277305
2-[(3,5-dichlorophenyl)sulfonyl-[1-[5-(1,3-thiazol-2-yl)pyridazin-3-yl]indol-5-yl]amino]acetic acid
CID 59277220
2-[(3,5-dichlorophenyl)sulfonyl-(1-pyrimidin-2-ylbenzimidazol-5-yl)amino]acetic acid
CID 59276992
2-[[1-[6-(2-aminoethylamino)pyridazin-3-yl]indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59277144

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid (CID 59276864) is 2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid is Nc1cccnc1-n1ccc2cc(N(CC(=O)O)S(=O)(=O)c3cc(Cl)cc(Cl)c3)ccc21.
What is the InChIKey of 2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid?
The InChIKey is XALUENKAKAPRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O4S/c22-14-9-15(23)11-17(10-14)32(30,31)27(12-20(28)29)16-3-4-19-13(8-16)5-7-26(19)21-18(24)2-1-6-25-21/h1-11H,12,24H2,(H,28,29).
What are the key properties of 2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid?
2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid has a molecular weight of 491.36 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 59276864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).