N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride

C14H25ClN2O2S — CID 119965037

IUPACN-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc(CC(C)C)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-12(2)11-13-5-7-14(8-6-13)19(17,18)16-10-4-9-15-3;/h5-8,12,15-16H,4,9-11H2,1-3H3;1H
InChIKeyRZIIMBLFUCDSRI-UHFFFAOYSA-N
MW320.89 g/mol
LogP2.19
Rot. Bonds8

About N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride

N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride (PubChem CID 119965037) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
PubChem CID119965037
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1ccc(CC(C)C)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-12(2)11-13-5-7-14(8-6-13)19(17,18)16-10-4-9-15-3;/h5-8,12,15-16H,4,9-11H2,1-3H3;1H
InChIKeyRZIIMBLFUCDSRI-UHFFFAOYSA-N
XLogP2.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride
CID 119973213
N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120717422
4-N-cyclopropyl-1-N-[3-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 119964978
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-(hydroxymethyl)-N-(7-methyloctyl)benzenesulfonamide
CID 107818586
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22207320
4-(ethylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63003905

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride (CID 119965037) is N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1ccc(CC(C)C)cc1.Cl.
What is the InChIKey of N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride?
The InChIKey is RZIIMBLFUCDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-12(2)11-13-5-7-14(8-6-13)19(17,18)16-10-4-9-15-3;/h5-8,12,15-16H,4,9-11H2,1-3H3;1H.
What are the key properties of N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride?
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119965037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).