2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide

C12H20N2O4S — CID 120707297

IUPAC2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1c(OC)cccc1OC
InChIInChI=1S/C12H20N2O4S/c1-13-8-5-9-14-19(15,16)12-10(17-2)6-4-7-11(12)18-3/h4,6-7,13-14H,5,8-9H2,1-3H3
InChIKeyCJDWAKOTPAVBLV-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.59
Rot. Bonds8

About 2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide

2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide (PubChem CID 120707297) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
PubChem CID120707297
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
SMILESCNCCCNS(=O)(=O)c1c(OC)cccc1OC
InChIInChI=1S/C12H20N2O4S/c1-13-8-5-9-14-19(15,16)12-10(17-2)6-4-7-11(12)18-3/h4,6-7,13-14H,5,8-9H2,1-3H3
InChIKeyCJDWAKOTPAVBLV-UHFFFAOYSA-N
XLogP0.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
3-methoxy-N-[3-(methylamino)propyl]thiophene-2-sulfonamide
CID 119964955
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
2-fluoro-4,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605994
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
N-[3-(methylamino)propyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 43605972
2,6-dimethoxy-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzenesulfonamide
CID 166221599
4-bromo-2,5-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707315
3-(methoxymethyl)-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119964995
3-iodo-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965124
methyl 3-[3-(methylamino)propylsulfamoyl]benzoate
CID 43605987

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide (CID 120707297) is 2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide is CNCCCNS(=O)(=O)c1c(OC)cccc1OC.
What is the InChIKey of 2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide?
The InChIKey is CJDWAKOTPAVBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-13-8-5-9-14-19(15,16)12-10(17-2)6-4-7-11(12)18-3/h4,6-7,13-14H,5,8-9H2,1-3H3.
What are the key properties of 2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide?
2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120707297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).