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

C13H20N2O3S — CID 61116633

IUPAC2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C13H20N2O3S/c1-5-8-15(10(2)3)19(16,17)13-7-6-11(18-4)9-12(13)14/h5-7,9-10H,1,8,14H2,2-4H3
InChIKeyGCJOIXISKOBTLB-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.86
Rot. Bonds6

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

2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide (PubChem CID 61116633) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
PubChem CID61116633
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C(C)C)S(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C13H20N2O3S/c1-5-8-15(10(2)3)19(16,17)13-7-6-11(18-4)9-12(13)14/h5-7,9-10H,1,8,14H2,2-4H3
InChIKeyGCJOIXISKOBTLB-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

2-amino-N-ethyl-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43265430
2-[(2-amino-4-methoxyphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 43576037
3-amino-4-[propan-2-yl(prop-2-enyl)sulfamoyl]benzamide
CID 81471424
3-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116253
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 106491536
2-amino-5-chloro-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61115685
5-bromo-2-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61059880
3-amino-5-fluoro-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 114625311
2-amino-N-benzyl-4-methoxy-N-methylbenzenesulfonamide
CID 29278456
2-amino-N-cyclopropyl-4-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 61113499
2-amino-4-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948431
3-amino-4,5-dimethyl-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61116631

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide (CID 61116633) is 2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide is C=CCN(C(C)C)S(=O)(=O)c1ccc(OC)cc1N.
What is the InChIKey of 2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is GCJOIXISKOBTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-8-15(10(2)3)19(16,17)13-7-6-11(18-4)9-12(13)14/h5-7,9-10H,1,8,14H2,2-4H3.
What are the key properties of 2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide?
2-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 2-amino-4-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 61116633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).