2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C24H32N2O4S — CID 11503191

IUPAC2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESCCN(CC)CCCc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2
InChIInChI=1S/C24H32N2O4S/c1-3-26(4-2)17-9-12-19-11-6-8-14-22(19)31(29,30)25-21-16-15-18-10-5-7-13-20(18)23(21)24(27)28/h6,8,11,14-16,25H,3-5,7,9-10,12-13,17H2,1-2H3,(H,27,28)
InChIKeyMSXUGNLPKHOVHP-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.34
Rot. Bonds10

About 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 11503191) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID11503191
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Name2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESCCN(CC)CCCc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2
InChIInChI=1S/C24H32N2O4S/c1-3-26(4-2)17-9-12-19-11-6-8-14-22(19)31(29,30)25-21-16-15-18-10-5-7-13-20(18)23(21)24(27)28/h6,8,11,14-16,25H,3-5,7,9-10,12-13,17H2,1-2H3,(H,27,28)
InChIKeyMSXUGNLPKHOVHP-UHFFFAOYSA-N
XLogP4.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 11503191) is 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is CCN(CC)CCCc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2.
What is the InChIKey of 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is MSXUGNLPKHOVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-3-26(4-2)17-9-12-19-11-6-8-14-22(19)31(29,30)25-21-16-15-18-10-5-7-13-20(18)23(21)24(27)28/h6,8,11,14-16,25H,3-5,7,9-10,12-13,17H2,1-2H3,(H,27,28).
What are the key properties of 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 444.60 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(diethylamino)propyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 11503191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).