4-methyl-2-prop-2-enylbenzenesulfonamide

C10H13NO2S — CID 67414600

IUPAC4-methyl-2-prop-2-enylbenzenesulfonamide
SMILESC=CCc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C10H13NO2S/c1-3-4-9-7-8(2)5-6-10(9)14(11,12)13/h3,5-7H,1,4H2,2H3,(H2,11,12,13)
InChIKeyZTNVKBLQJDZIHW-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.37
Rot. Bonds3

About 4-methyl-2-prop-2-enylbenzenesulfonamide

4-methyl-2-prop-2-enylbenzenesulfonamide (PubChem CID 67414600) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-2-prop-2-enylbenzenesulfonamide
PubChem CID67414600
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4-methyl-2-prop-2-enylbenzenesulfonamide
SMILESC=CCc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C10H13NO2S/c1-3-4-9-7-8(2)5-6-10(9)14(11,12)13/h3,5-7H,1,4H2,2H3,(H2,11,12,13)
InChIKeyZTNVKBLQJDZIHW-UHFFFAOYSA-N
XLogP1.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-methyl-2-prop-2-enylbenzenesulfonamide (CID 67414600) is 4-methyl-2-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-2-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-methyl-2-prop-2-enylbenzenesulfonamide is C=CCc1cc(C)ccc1S(N)(=O)=O.
What is the InChIKey of 4-methyl-2-prop-2-enylbenzenesulfonamide?
The InChIKey is ZTNVKBLQJDZIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-3-4-9-7-8(2)5-6-10(9)14(11,12)13/h3,5-7H,1,4H2,2H3,(H2,11,12,13).
What are the key properties of 4-methyl-2-prop-2-enylbenzenesulfonamide?
4-methyl-2-prop-2-enylbenzenesulfonamide has a molecular weight of 211.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 67414600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).