2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid

C22H14Cl2N4O4S — CID 59277248

IUPAC2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
SMILESN#Cc1ccnc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)c1
InChIInChI=1S/C22H14Cl2N4O4S/c23-16-9-17(24)11-19(10-16)33(31,32)28(13-22(29)30)18-1-2-20-15(8-18)4-6-27(20)21-7-14(12-25)3-5-26-21/h1-11H,13H2,(H,29,30)
InChIKeyOVWBMLJULLJQBR-UHFFFAOYSA-N
MW501.35 g/mol
LogP4.48
Rot. Bonds6

About 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid

2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid (PubChem CID 59277248) has the molecular formula C22H14Cl2N4O4S and a molecular weight of 501.35 g/mol. Its IUPAC name is 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
PubChem CID59277248
Molecular FormulaC22H14Cl2N4O4S
Molecular Weight501.35 g/mol
Exact Mass500.01
IUPAC Name2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
SMILESN#Cc1ccnc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)c1
InChIInChI=1S/C22H14Cl2N4O4S/c23-16-9-17(24)11-19(10-16)33(31,32)28(13-22(29)30)18-1-2-20-15(8-18)4-6-27(20)21-7-14(12-25)3-5-26-21/h1-11H,13H2,(H,29,30)
InChIKeyOVWBMLJULLJQBR-UHFFFAOYSA-N
XLogP4.48
TPSA116.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-dichlorophenyl)sulfonyl-[1-(2,6-dimethylpyrimidin-4-yl)indol-5-yl]amino]acetic acid
CID 59276754
2-[[1-(2-cyanophenyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59277065
2-[(3,5-dichlorophenyl)sulfonyl-[1-(5-methylsulfanylpyrazin-2-yl)indol-5-yl]amino]acetic acid
CID 59277010
2-[(3,5-dichlorophenyl)sulfonyl-[1-(6-oxo-1H-pyridazin-3-yl)indol-5-yl]amino]acetic acid
CID 59276848
2-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59276864
[[1-(5-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 59446468
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-(1-methylpyrazol-4-yl)indol-5-yl]amino]acetic acid
CID 59277451
2-[(3,5-dichlorophenyl)sulfonyl-[1-[5-(piperazine-1-carbonyl)pyrazin-2-yl]indol-5-yl]amino]acetic acid;hydrochloride
CID 68585637
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-naphthalen-2-ylindol-5-yl)amino]acetic acid
CID 59277445
2-[(3,5-dichlorophenyl)sulfonyl-[1-[6-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-yl]indol-5-yl]amino]acetic acid
CID 143735414

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid (CID 59277248) is 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid is N#Cc1ccnc(-n2ccc3cc(N(CC(=O)O)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)c1.
What is the InChIKey of 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid?
The InChIKey is OVWBMLJULLJQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N4O4S/c23-16-9-17(24)11-19(10-16)33(31,32)28(13-22(29)30)18-1-2-20-15(8-18)4-6-27(20)21-7-14(12-25)3-5-26-21/h1-11H,13H2,(H,29,30).
What are the key properties of 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid?
2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid has a molecular weight of 501.35 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 59277248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).