2-(2,3-dimethoxypropylamino)benzenesulfonamide

C11H18N2O4S — CID 114100732

IUPAC2-(2,3-dimethoxypropylamino)benzenesulfonamide
SMILESCOCC(CNc1ccccc1S(N)(=O)=O)OC
InChIInChI=1S/C11H18N2O4S/c1-16-8-9(17-2)7-13-10-5-3-4-6-11(10)18(12,14)15/h3-6,9,13H,7-8H2,1-2H3,(H2,12,14,15)
InChIKeyZITGUBJEFGTEMG-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.41
Rot. Bonds7

About 2-(2,3-dimethoxypropylamino)benzenesulfonamide

2-(2,3-dimethoxypropylamino)benzenesulfonamide (PubChem CID 114100732) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-(2,3-dimethoxypropylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,3-dimethoxypropylamino)benzenesulfonamide
PubChem CID114100732
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-(2,3-dimethoxypropylamino)benzenesulfonamide
SMILESCOCC(CNc1ccccc1S(N)(=O)=O)OC
InChIInChI=1S/C11H18N2O4S/c1-16-8-9(17-2)7-13-10-5-3-4-6-11(10)18(12,14)15/h3-6,9,13H,7-8H2,1-2H3,(H2,12,14,15)
InChIKeyZITGUBJEFGTEMG-UHFFFAOYSA-N
XLogP0.41
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107159038
2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide
CID 114212293
3-methyl-4-(2-sulfamoylanilino)butanoic acid
CID 81065364
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
CID 115360899
2-(2-butoxyethylamino)benzenesulfonamide
CID 61169915
N-(2-chloro-3-methoxypropyl)-2-propylsulfonylaniline
CID 65027838

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxypropylamino)benzenesulfonamide?
The IUPAC name of 2-(2,3-dimethoxypropylamino)benzenesulfonamide (CID 114100732) is 2-(2,3-dimethoxypropylamino)benzenesulfonamide.
What is the SMILES notation for 2-(2,3-dimethoxypropylamino)benzenesulfonamide?
The canonical SMILES for 2-(2,3-dimethoxypropylamino)benzenesulfonamide is COCC(CNc1ccccc1S(N)(=O)=O)OC.
What is the InChIKey of 2-(2,3-dimethoxypropylamino)benzenesulfonamide?
The InChIKey is ZITGUBJEFGTEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-16-8-9(17-2)7-13-10-5-3-4-6-11(10)18(12,14)15/h3-6,9,13H,7-8H2,1-2H3,(H2,12,14,15).
What are the key properties of 2-(2,3-dimethoxypropylamino)benzenesulfonamide?
2-(2,3-dimethoxypropylamino)benzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxypropylamino)benzenesulfonamide is sourced from PubChem (CID 114100732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).