N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide

C28H27N5O2S — CID 10391182

IUPACN-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12
InChIInChI=1S/C28H27N5O2S/c1-32(2)27-7-3-6-26-25(27)5-4-8-28(26)36(34,35)33(14-12-29)24-16-23(18-31-19-24)20-9-10-22-17-30-13-11-21(22)15-20/h3-11,13,15-19H,12,14,29H2,1-2H3
InChIKeyXMFUGSRATNLPRM-UHFFFAOYSA-N
MW497.62 g/mol
LogP4.67
Rot. Bonds7

About N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide

N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide (PubChem CID 10391182) has the molecular formula C28H27N5O2S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide
PubChem CID10391182
Molecular FormulaC28H27N5O2S
Molecular Weight497.62 g/mol
Exact Mass497.19
IUPAC NameN-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12
InChIInChI=1S/C28H27N5O2S/c1-32(2)27-7-3-6-26-25(27)5-4-8-28(26)36(34,35)33(14-12-29)24-16-23(18-31-19-24)20-9-10-22-17-30-13-11-21(22)15-20/h3-11,13,15-19H,12,14,29H2,1-2H3
InChIKeyXMFUGSRATNLPRM-UHFFFAOYSA-N
XLogP4.67
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide 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 N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide (CID 10391182) is N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)N(CCN)c3cncc(-c4ccc5cnccc5c4)c3)cccc12.
What is the InChIKey of N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide?
The InChIKey is XMFUGSRATNLPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2S/c1-32(2)27-7-3-6-26-25(27)5-4-8-28(26)36(34,35)33(14-12-29)24-16-23(18-31-19-24)20-9-10-22-17-30-13-11-21(22)15-20/h3-11,13,15-19H,12,14,29H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide?
N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide has a molecular weight of 497.62 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(dimethylamino)-N-(5-isoquinolin-6-yl-3-pyridinyl)naphthalene-1-sulfonamide is sourced from PubChem (CID 10391182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).