3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide

C13H20N2O3S — CID 61116253

IUPAC3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H20N2O3S/c1-5-8-15(10(2)3)19(16,17)11-6-7-13(18-4)12(14)9-11/h5-7,9-10H,1,8,14H2,2-4H3
InChIKeyXWXHUNJULRXLJK-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.86
Rot. Bonds6

About 3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide

3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide (PubChem CID 61116253) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
PubChem CID61116253
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)c1ccc(OC)c(N)c1
InChIInChI=1S/C13H20N2O3S/c1-5-8-15(10(2)3)19(16,17)11-6-7-13(18-4)12(14)9-11/h5-7,9-10H,1,8,14H2,2-4H3
InChIKeyXWXHUNJULRXLJK-UHFFFAOYSA-N
XLogP1.86
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569766
3-amino-5-fluoro-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 114625311
3-amino-4,5-dimethyl-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116631
5-bromo-2-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61059880
2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116633
3-amino-4-fluoro-5-methyl-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 115421355
3-amino-4-methoxy-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295497
4-amino-N-butan-2-yl-N-ethyl-3-methoxybenzenesulfonamide
CID 81438339
3-amino-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60893077
5-(difluoromethylsulfonyl)-2-methoxyaniline
CID 3374971
N-propan-2-yl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422322
3-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 63322234

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide (CID 61116253) is 3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide is C=CCN(C(C)C)S(=O)(=O)c1ccc(OC)c(N)c1.
What is the InChIKey of 3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is XWXHUNJULRXLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-8-15(10(2)3)19(16,17)11-6-7-13(18-4)12(14)9-11/h5-7,9-10H,1,8,14H2,2-4H3.
What are the key properties of 3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 61116253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).