N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride

C12H21ClN2O2S — CID 6603144

IUPACN-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCCN(C)C)cc1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-11-5-7-12(8-6-11)17(15,16)13-9-4-10-14(2)3;/h5-8,13H,4,9-10H2,1-3H3;1H
InChIKeyXAEAZEKGFJUGSA-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.65
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride

N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride (PubChem CID 6603144) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride
PubChem CID6603144
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC NameN-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)NCCCN(C)C)cc1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-11-5-7-12(8-6-11)17(15,16)13-9-4-10-14(2)3;/h5-8,13H,4,9-10H2,1-3H3;1H
InChIKeyXAEAZEKGFJUGSA-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride (CID 6603144) is N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1.Cl.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride?
The InChIKey is XAEAZEKGFJUGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-11-5-7-12(8-6-11)17(15,16)13-9-4-10-14(2)3;/h5-8,13H,4,9-10H2,1-3H3;1H.
What are the key properties of N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride?
N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 6603144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).