2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C24H25N3O4S — CID 11576038

IUPAC2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccccn2)ccc2c1CCCC2
InChIInChI=1S/C24H25N3O4S/c28-24(29)23-19-9-2-1-7-17(19)12-13-21(23)27-32(30,31)22-11-4-3-10-20(22)26-16-14-18-8-5-6-15-25-18/h3-6,8,10-13,15,26-27H,1-2,7,9,14,16H2,(H,28,29)
InChIKeyZBSXTMKDEPZBFP-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.11
Rot. Bonds8

About 2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 11576038) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID11576038
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccccn2)ccc2c1CCCC2
InChIInChI=1S/C24H25N3O4S/c28-24(29)23-19-9-2-1-7-17(19)12-13-21(23)27-32(30,31)22-11-4-3-10-20(22)26-16-14-18-8-5-6-15-25-18/h3-6,8,10-13,15,26-27H,1-2,7,9,14,16H2,(H,28,29)
InChIKeyZBSXTMKDEPZBFP-UHFFFAOYSA-N
XLogP4.11
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 11576038) is 2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is O=C(O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccccn2)ccc2c1CCCC2.
What is the InChIKey of 2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is ZBSXTMKDEPZBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-24(29)23-19-9-2-1-7-17(19)12-13-21(23)27-32(30,31)22-11-4-3-10-20(22)26-16-14-18-8-5-6-15-25-18/h3-6,8,10-13,15,26-27H,1-2,7,9,14,16H2,(H,28,29).
What are the key properties of 2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 451.55 g/mol, XLogP of 4.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-pyridin-2-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 11576038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).