4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

C12H20N2O4S — CID 55135939

IUPAC4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C12H20N2O4S/c1-9(8-17-3)14(2)19(15,16)12-6-5-10(13)7-11(12)18-4/h5-7,9H,8,13H2,1-4H3
InChIKeyOPFMFGRQKUVAIP-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.93
Rot. Bonds6

About 4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide

4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 55135939) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID55135939
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCOCC(C)N(C)S(=O)(=O)c1ccc(N)cc1OC
InChIInChI=1S/C12H20N2O4S/c1-9(8-17-3)14(2)19(15,16)12-6-5-10(13)7-11(12)18-4/h5-7,9H,8,13H2,1-4H3
InChIKeyOPFMFGRQKUVAIP-UHFFFAOYSA-N
XLogP0.93
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 61444696
4-ethylsulfonyl-3-methoxyaniline
CID 81207779
4-amino-N-butan-2-yl-N-butyl-2-methoxybenzenesulfonamide
CID 61111653
2-amino-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61116591
4-amino-2-methoxy-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65050020
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
3-amino-4-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 81471352
2-(4-amino-2-methoxyphenyl)sulfonyl-N-methyl-N-propan-2-ylacetamide
CID 81206794
3-bromo-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61059985
methyl 3-amino-4-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoate
CID 61115645
2-methoxy-5-[1-methoxypropan-2-yl(methyl)sulfamoyl]benzoic acid
CID 60951886
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-methylbenzenesulfonamide
CID 61111850

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide (CID 55135939) is 4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is COCC(C)N(C)S(=O)(=O)c1ccc(N)cc1OC.
What is the InChIKey of 4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is OPFMFGRQKUVAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-9(8-17-3)14(2)19(15,16)12-6-5-10(13)7-11(12)18-4/h5-7,9H,8,13H2,1-4H3.
What are the key properties of 4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide?
4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 55135939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).