2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C24H25N3O4S — CID 11546910

IUPAC2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccncc2)ccc2c1CCCC2
InChIInChI=1S/C24H25N3O4S/c28-24(29)23-19-6-2-1-5-18(19)9-10-21(23)27-32(30,31)22-8-4-3-7-20(22)26-16-13-17-11-14-25-15-12-17/h3-4,7-12,14-15,26-27H,1-2,5-6,13,16H2,(H,28,29)
InChIKeyLTFPSAWQPYPKAZ-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.11
Rot. Bonds8

About 2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 11546910) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID11546910
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESO=C(O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccncc2)ccc2c1CCCC2
InChIInChI=1S/C24H25N3O4S/c28-24(29)23-19-6-2-1-5-18(19)9-10-21(23)27-32(30,31)22-8-4-3-7-20(22)26-16-13-17-11-14-25-15-12-17/h3-4,7-12,14-15,26-27H,1-2,5-6,13,16H2,(H,28,29)
InChIKeyLTFPSAWQPYPKAZ-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

Analyze 2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid with MolForge

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Related Compounds

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CID 11503764
Anthranilic Acid Sulfonamide, 10ab
CID 11539389
Anthranilic Acid Sulfonamide, 10ac
CID 11576038
Anthranilic Acid Sulfonamide, 13f
CID 11576158
Anthranilic Acid Sulfonamide, 10x
CID 11676623
3-Ethyl-2-methyl-6-(pyridine-2-sulfonamido)benzoic acid
CID 23647779
Anthranilic Acid Sulfonamide, 10v
CID 11517890
Anthranilic acid deriv., 20
CID 25263374
3-[[4-(Pyridin-4-ylmethyl)phenyl]sulfamoyl]benzoic acid
CID 4848534
2-[(8-Quinolinylsulfonyl)amino]benzoic acid
CID 781543
2-(Methylamino)-4-[2-[2-[(7-methylquinolin-8-yl)sulfonylamino]phenyl]ethynyl]benzoic acid
CID 150489082
2-(Benzenesulfonamido)-4-quinolin-5-ylbenzoic acid
CID 76332735

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 11546910) is 2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is O=C(O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccncc2)ccc2c1CCCC2.
What is the InChIKey of 2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is LTFPSAWQPYPKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c28-24(29)23-19-6-2-1-5-18(19)9-10-21(23)27-32(30,31)22-8-4-3-7-20(22)26-16-13-17-11-14-25-15-12-17/h3-4,7-12,14-15,26-27H,1-2,5-6,13,16H2,(H,28,29).
What are the key properties of 2-[[2-(2-pyridin-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
2-[[2-(2-pyridin-4-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-4-ylethylamino)phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 11546910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).