N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide

C10H13NO3S — CID 778782

IUPACN-(4-methoxyphenyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C10H13NO3S/c1-3-8-15(12,13)11-9-4-6-10(14-2)7-5-9/h3-7,11H,1,8H2,2H3
InChIKeyUIRASSGMCCKRGO-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.62
Rot. Bonds5

About N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide

N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide (PubChem CID 778782) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)prop-2-ene-1-sulfonamide
PubChem CID778782
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(4-methoxyphenyl)prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C10H13NO3S/c1-3-8-15(12,13)11-9-4-6-10(14-2)7-5-9/h3-7,11H,1,8H2,2H3
InChIKeyUIRASSGMCCKRGO-UHFFFAOYSA-N
XLogP1.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.62
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

1-bromo-N-(4-methoxyphenyl)methanesulfonamide
CID 83093726
N-(2-amino-5-methoxyphenyl)prop-2-ene-1-sulfonamide
CID 79673212
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
(4-methoxyphenyl)-prop-2-enylsulfonylazanide
CID 4742693
2-[4-(prop-2-enylsulfonylamino)phenoxy]tetradecanoic acid
CID 71322696
(E)-N-(4-methoxyphenyl)prop-1-ene-1-sulfonamide
CID 70401574
N-[4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)phenyl]prop-2-ene-1-sulfonamide
CID 89121591
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide
CID 79673500
1-[4-(prop-2-enylsulfonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557954

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide (CID 778782) is N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)Nc1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide?
The InChIKey is UIRASSGMCCKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-8-15(12,13)11-9-4-6-10(14-2)7-5-9/h3-7,11H,1,8H2,2H3.
What are the key properties of N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide?
N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide is sourced from PubChem (CID 778782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).