5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide

C12H17NO3S — CID 27261539

IUPAC5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(OC)c(C)cc1C
InChIInChI=1S/C12H17NO3S/c1-5-6-13-17(14,15)12-8-11(16-4)9(2)7-10(12)3/h5,7-8,13H,1,6H2,2-4H3
InChIKeyKJPABBSWSZZEPW-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.78
Rot. Bonds5

About 5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide

5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 27261539) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
PubChem CID27261539
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(OC)c(C)cc1C
InChIInChI=1S/C12H17NO3S/c1-5-6-13-17(14,15)12-8-11(16-4)9(2)7-10(12)3/h5,7-8,13H,1,6H2,2-4H3
InChIKeyKJPABBSWSZZEPW-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,5-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 25252496
N-[(2S)-2-hydroxypropyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 39730608
5-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 27245863
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
5-amino-4-bromo-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 81414818
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 39368097
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
8-methoxy-N-prop-2-enylquinoline-5-sulfonamide
CID 624168
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide (CID 27261539) is 5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(OC)c(C)cc1C.
What is the InChIKey of 5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is KJPABBSWSZZEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-5-6-13-17(14,15)12-8-11(16-4)9(2)7-10(12)3/h5,7-8,13H,1,6H2,2-4H3.
What are the key properties of 5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide?
5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,4-dimethyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 27261539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).