N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride

C14H25ClN2O2S — CID 119973213

IUPACN-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1ccc(CCC(C)C)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-12(2)4-5-13-6-8-14(9-7-13)19(17,18)16-11-10-15-3;/h6-9,12,15-16H,4-5,10-11H2,1-3H3;1H
InChIKeyBWEQVXUABXRBFY-UHFFFAOYSA-N
MW320.89 g/mol
LogP2.19
Rot. Bonds8

About N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride

N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride (PubChem CID 119973213) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride
PubChem CID119973213
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1ccc(CCC(C)C)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-12(2)4-5-13-6-8-14(9-7-13)19(17,18)16-11-10-15-3;/h6-9,12,15-16H,4-5,10-11H2,1-3H3;1H
InChIKeyBWEQVXUABXRBFY-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;hydrochloride
CID 119965037
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
4-(hydroxymethyl)-N-(7-methyloctyl)benzenesulfonamide
CID 107818586
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
sodium 4-(3-methylbutyl)benzenesulfonate
CID 23686331
4-(ethylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63003905
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
2-[4-(5-methylhexylsulfamoyl)phenyl]acetic acid
CID 115324996
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride (CID 119973213) is N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride is CNCCNS(=O)(=O)c1ccc(CCC(C)C)cc1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride?
The InChIKey is BWEQVXUABXRBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-12(2)4-5-13-6-8-14(9-7-13)19(17,18)16-11-10-15-3;/h6-9,12,15-16H,4-5,10-11H2,1-3H3;1H.
What are the key properties of N-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride?
N-[2-(methylamino)ethyl]-4-(3-methylbutyl)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-[2-(methylamino)ethyl]-4-(3-methylbutyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).