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

C17H18N2O4S — CID 11573782

IUPAC2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2
InChIInChI=1S/C17H18N2O4S/c18-13-7-3-4-8-15(13)24(22,23)19-14-10-9-11-5-1-2-6-12(11)16(14)17(20)21/h3-4,7-10,19H,1-2,5-6,18H2,(H,20,21)
InChIKeyYNEHJMCKHQLISR-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.65
Rot. Bonds4

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

2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 11573782) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID11573782
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2
InChIInChI=1S/C17H18N2O4S/c18-13-7-3-4-8-15(13)24(22,23)19-14-10-9-11-5-1-2-6-12(11)16(14)17(20)21/h3-4,7-10,19H,1-2,5-6,18H2,(H,20,21)
InChIKeyYNEHJMCKHQLISR-UHFFFAOYSA-N
XLogP2.65
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 11573782) is 2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is Nc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2.
What is the InChIKey of 2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is YNEHJMCKHQLISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c18-13-7-3-4-8-15(13)24(22,23)19-14-10-9-11-5-1-2-6-12(11)16(14)17(20)21/h3-4,7-10,19H,1-2,5-6,18H2,(H,20,21).
What are the key properties of 2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 11573782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).