3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride

C12H21ClN2O3S — CID 119964995

IUPAC3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1cccc(COC)c1.Cl
InChIInChI=1S/C12H20N2O3S.ClH/c1-13-7-4-8-14-18(15,16)12-6-3-5-11(9-12)10-17-2;/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3;1H
InChIKeySXBOGFGQDDJRLV-UHFFFAOYSA-N
MW308.83 g/mol
LogP1.14
Rot. Bonds8

About 3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride

3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride (PubChem CID 119964995) has the molecular formula C12H21ClN2O3S and a molecular weight of 308.83 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
PubChem CID119964995
Molecular FormulaC12H21ClN2O3S
Molecular Weight308.83 g/mol
Exact Mass308.10
IUPAC Name3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
SMILESCNCCCNS(=O)(=O)c1cccc(COC)c1.Cl
InChIInChI=1S/C12H20N2O3S.ClH/c1-13-7-4-8-14-18(15,16)12-6-3-5-11(9-12)10-17-2;/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3;1H
InChIKeySXBOGFGQDDJRLV-UHFFFAOYSA-N
XLogP1.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethylamino)ethyl]-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 120717658
N-(3-aminobutyl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119972673
3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965124
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
CID 43605987
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119965033
N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide
CID 99819230
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
3-(aminomethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 16786055
3-(aminomethyl)-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106335796
N-(4-aminobutyl)-3-ethylbenzenesulfonamide;hydrochloride
CID 120583777
N-[3-(methoxymethyl)phenyl]-4-(methylamino)butane-1-sulfonamide
CID 106002772

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride (CID 119964995) is 3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride is CNCCCNS(=O)(=O)c1cccc(COC)c1.Cl.
What is the InChIKey of 3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
The InChIKey is SXBOGFGQDDJRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S.ClH/c1-13-7-4-8-14-18(15,16)12-6-3-5-11(9-12)10-17-2;/h3,5-6,9,13-14H,4,7-8,10H2,1-2H3;1H.
What are the key properties of 3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride?
3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride has a molecular weight of 308.83 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).