5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide

C22H27N3O2S — CID 10408519

IUPAC5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide
SMILESCNCCC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)c1ccccc1
InChIInChI=1S/C22H27N3O2S/c1-23-16-15-20(17-9-5-4-6-10-17)24-28(26,27)22-14-8-11-18-19(22)12-7-13-21(18)25(2)3/h4-14,20,23-24H,15-16H2,1-3H3
InChIKeyRFHPREVODUNBJW-UHFFFAOYSA-N
MW397.54 g/mol
LogP3.53
Rot. Bonds8

About 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide (PubChem CID 10408519) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide
PubChem CID10408519
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide
SMILESCNCCC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)c1ccccc1
InChIInChI=1S/C22H27N3O2S/c1-23-16-15-20(17-9-5-4-6-10-17)24-28(26,27)22-14-8-11-18-19(22)12-7-13-21(18)25(2)3/h4-14,20,23-24H,15-16H2,1-3H3
InChIKeyRFHPREVODUNBJW-UHFFFAOYSA-N
XLogP3.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]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 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide (CID 10408519) is 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide is CNCCC(NS(=O)(=O)c1cccc2c(N(C)C)cccc12)c1ccccc1.
What is the InChIKey of 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide?
The InChIKey is RFHPREVODUNBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-23-16-15-20(17-9-5-4-6-10-17)24-28(26,27)22-14-8-11-18-19(22)12-7-13-21(18)25(2)3/h4-14,20,23-24H,15-16H2,1-3H3.
What are the key properties of 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide has a molecular weight of 397.54 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[3-(methylamino)-1-phenylpropyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10408519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).