8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide

C20H21ClN2O2S — CID 3842166

IUPAC8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide
SMILESCN(CCCNS(=O)(=O)c1cccc2cccc(Cl)c12)c1ccccc1
InChIInChI=1S/C20H21ClN2O2S/c1-23(17-10-3-2-4-11-17)15-7-14-22-26(24,25)19-13-6-9-16-8-5-12-18(21)20(16)19/h2-6,8-13,22H,7,14-15H2,1H3
InChIKeyRWXKIXFDRIJILW-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.30
Rot. Bonds7

About 8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide

8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide (PubChem CID 3842166) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide
PubChem CID3842166
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide
SMILESCN(CCCNS(=O)(=O)c1cccc2cccc(Cl)c12)c1ccccc1
InChIInChI=1S/C20H21ClN2O2S/c1-23(17-10-3-2-4-11-17)15-7-14-22-26(24,25)19-13-6-9-16-8-5-12-18(21)20(16)19/h2-6,8-13,22H,7,14-15H2,1H3
InChIKeyRWXKIXFDRIJILW-UHFFFAOYSA-N
XLogP4.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-chloro-N-[3-(N-methylanilino)propyl]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

Related Compounds

5-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 39622537
6-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-sulfonamide
CID 26945524
8-chloro-N-(2-cyanoethyl)naphthalene-1-sulfonamide
CID 5178973
8-chloro-N-(cyanomethyl)naphthalene-1-sulfonamide
CID 25037675
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961
methyl 3-[3-(N-methylanilino)propylsulfamoyl]thiophene-2-carboxylate
CID 3761777
8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
CID 25036817
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-[2-[2-(4-chloro-N-methylanilino)ethylamino]ethyl]isoquinoline-5-sulfonamide;oxalic acid
CID 157485262
8-chloro-N-[(2-chloro-6-fluorophenyl)methyl]naphthalene-1-sulfonamide
CID 3840065
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide?
The IUPAC name of 8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide (CID 3842166) is 8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide?
The canonical SMILES for 8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide is CN(CCCNS(=O)(=O)c1cccc2cccc(Cl)c12)c1ccccc1.
What is the InChIKey of 8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide?
The InChIKey is RWXKIXFDRIJILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-23(17-10-3-2-4-11-17)15-7-14-22-26(24,25)19-13-6-9-16-8-5-12-18(21)20(16)19/h2-6,8-13,22H,7,14-15H2,1H3.
What are the key properties of 8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide?
8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide has a molecular weight of 388.92 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[3-(N-methylanilino)propyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3842166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).