2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid

C26H18Cl2N2O4S — CID 59277445

IUPAC2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid
SMILESO=C(O)CN(c1ccc2c(ccn2-c2ccc3ccccc3c2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H18Cl2N2O4S/c27-20-13-21(28)15-24(14-20)35(33,34)30(16-26(31)32)23-7-8-25-19(12-23)9-10-29(25)22-6-5-17-3-1-2-4-18(17)11-22/h1-15H,16H2,(H,31,32)
InChIKeyYQYVGBIUCDVIAO-UHFFFAOYSA-N
MW525.41 g/mol
LogP6.37
Rot. Bonds6

About 2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid

2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid (PubChem CID 59277445) has the molecular formula C26H18Cl2N2O4S and a molecular weight of 525.41 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid
PubChem CID59277445
Molecular FormulaC26H18Cl2N2O4S
Molecular Weight525.41 g/mol
Exact Mass524.04
IUPAC Name2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid
SMILESO=C(O)CN(c1ccc2c(ccn2-c2ccc3ccccc3c2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C26H18Cl2N2O4S/c27-20-13-21(28)15-24(14-20)35(33,34)30(16-26(31)32)23-7-8-25-19(12-23)9-10-29(25)22-6-5-17-3-1-2-4-18(17)11-22/h1-15H,16H2,(H,31,32)
InChIKeyYQYVGBIUCDVIAO-UHFFFAOYSA-N
XLogP6.37
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.41
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylpyrazol-4-yl)indol-5-yl]amino]acetic acid
CID 59277451
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-[[1-(3-amino-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59276864
2-[(3,5-dichlorophenyl)sulfonyl-[1-(2,6-dimethylpyrimidin-4-yl)indol-5-yl]amino]acetic acid
CID 59276754
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-methylsulfanylpyrazin-2-yl)indol-5-yl]amino]acetic acid
CID 59277010
2-[[1-(4-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59277248
2-[[1-[6-(2-aminoethylamino)pyridazin-3-yl]indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetic acid
CID 59277144
2-[(3,5-dichlorophenyl)sulfonyl-[1-[6-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-yl]indol-5-yl]amino]acetic acid
CID 143735414
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-[5-(piperazine-1-carbonyl)pyrazin-2-yl]indol-5-yl]amino]acetic acid;hydrochloride
CID 68585637

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid (CID 59277445) is 2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid is O=C(O)CN(c1ccc2c(ccn2-c2ccc3ccccc3c2)c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid?
The InChIKey is YQYVGBIUCDVIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N2O4S/c27-20-13-21(28)15-24(14-20)35(33,34)30(16-26(31)32)23-7-8-25-19(12-23)9-10-29(25)22-6-5-17-3-1-2-4-18(17)11-22/h1-15H,16H2,(H,31,32).
What are the key properties of 2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid?
2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid has a molecular weight of 525.41 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)sulfonyl-(1-naphthalen-2-ylindol-5-yl)amino]acetic acid is sourced from PubChem (CID 59277445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).