2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride

C12H21ClN2O2S — CID 119965080

IUPAC2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1cc(C)ccc1C.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-10-5-6-11(2)12(9-10)17(15,16)14-8-4-7-13-3;/h5-6,9,13-14H,4,7-8H2,1-3H3;1H
InChIKeyKPDKPLZRXGZKIK-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.61
Rot. Bonds6

About 2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride

2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 119965080) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID119965080
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC Name2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1cc(C)ccc1C.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-10-5-6-11(2)12(9-10)17(15,16)14-8-4-7-13-3;/h5-6,9,13-14H,4,7-8H2,1-3H3;1H
InChIKeyKPDKPLZRXGZKIK-UHFFFAOYSA-N
XLogP1.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.61
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-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
N-(4-hydroxypentyl)-2,5-dimethylbenzenesulfonamide
CID 107271098
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
N-[3-(2-aminoethoxy)propyl]-2,5-dimethylbenzenesulfonamide
CID 106308141
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 119965080) is 2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1cc(C)ccc1C.Cl.
What is the InChIKey of 2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is KPDKPLZRXGZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-10-5-6-11(2)12(9-10)17(15,16)14-8-4-7-13-3;/h5-6,9,13-14H,4,7-8H2,1-3H3;1H.
What are the key properties of 2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119965080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).