3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide

C11H18N2O4S — CID 54936668

IUPAC3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OCCCOC)c(N)c1
InChIInChI=1S/C11H18N2O4S/c1-13-18(14,15)9-4-5-11(10(12)8-9)17-7-3-6-16-2/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyPZDCPEFKEGFDLT-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.59
Rot. Bonds7

About 3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide

3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide (PubChem CID 54936668) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
PubChem CID54936668
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OCCCOC)c(N)c1
InChIInChI=1S/C11H18N2O4S/c1-13-18(14,15)9-4-5-11(10(12)8-9)17-7-3-6-16-2/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyPZDCPEFKEGFDLT-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
CID 104559947
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
3-amino-N-methyl-4-(2-propoxyethoxy)benzenesulfonamide
CID 55234253
3-amino-N-methyl-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonamide
CID 106446796
3-amino-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43382810
4-amino-3-(3-methoxypropylamino)-N-methylbenzenesulfonamide
CID 82898084
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
4-amino-N-methyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82900533
3-amino-4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 113288285
5-amino-2-(2-methoxyethoxy)-N-methylbenzenesulfonamide
CID 103287723
3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide
CID 70648323
4-amino-N-methyl-3-(2-propan-2-yloxyethoxy)benzenesulfonamide
CID 82901458

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide (CID 54936668) is 3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(OCCCOC)c(N)c1.
What is the InChIKey of 3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide?
The InChIKey is PZDCPEFKEGFDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-13-18(14,15)9-4-5-11(10(12)8-9)17-7-3-6-16-2/h4-5,8,13H,3,6-7,12H2,1-2H3.
What are the key properties of 3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide?
3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide has a molecular weight of 274.34 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54936668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).