5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide

C14H22N2O4S — CID 79962057

IUPAC5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C14H22N2O4S/c1-10-6-13(19-2)14(7-12(10)15)21(17,18)16-8-11-4-3-5-20-9-11/h6-7,11,16H,3-5,8-9,15H2,1-2H3
InChIKeyOUHHOHUQVHSIRR-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.29
Rot. Bonds5

About 5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide

5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide (PubChem CID 79962057) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
PubChem CID79962057
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
SMILESCOc1cc(C)c(N)cc1S(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C14H22N2O4S/c1-10-6-13(19-2)14(7-12(10)15)21(17,18)16-8-11-4-3-5-20-9-11/h6-7,11,16H,3-5,8-9,15H2,1-2H3
InChIKeyOUHHOHUQVHSIRR-UHFFFAOYSA-N
XLogP1.29
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methoxy-4-methyl-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80594961
2,5-dibromo-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 80708344
5-(aminomethyl)-2,4-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 106016485
5-amino-2-methoxy-4-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79959373
5-amino-N-(1-cyclopropylpropan-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79974308
5-amino-N-cyclobutyl-2-methoxy-4-methylbenzenesulfonamide
CID 79974645
3-amino-5-chloro-2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 103050953
5-amino-N-(2,2-dimethylpropyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79973629
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962260
3-amino-4-bromo-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 115329018
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide (CID 79962057) is 5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide is COc1cc(C)c(N)cc1S(=O)(=O)NCC1CCCOC1.
What is the InChIKey of 5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
The InChIKey is OUHHOHUQVHSIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-10-6-13(19-2)14(7-12(10)15)21(17,18)16-8-11-4-3-5-20-9-11/h6-7,11,16H,3-5,8-9,15H2,1-2H3.
What are the key properties of 5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide?
5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 79962057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).