N-(4-prop-2-enoxyphenyl)methanesulfonamide

C10H13NO3S — CID 15675894

IUPACN-(4-prop-2-enoxyphenyl)methanesulfonamide
SMILESC=CCOc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H13NO3S/c1-3-8-14-10-6-4-9(5-7-10)11-15(2,12)13/h3-7,11H,1,8H2,2H3
InChIKeyBMRCVKFDCBXANY-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.62
Rot. Bonds5

About N-(4-prop-2-enoxyphenyl)methanesulfonamide

N-(4-prop-2-enoxyphenyl)methanesulfonamide (PubChem CID 15675894) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(4-prop-2-enoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-prop-2-enoxyphenyl)methanesulfonamide
PubChem CID15675894
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(4-prop-2-enoxyphenyl)methanesulfonamide
SMILESC=CCOc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C10H13NO3S/c1-3-8-14-10-6-4-9(5-7-10)11-15(2,12)13/h3-7,11H,1,8H2,2H3
InChIKeyBMRCVKFDCBXANY-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

N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
2-chloro-5-(methanesulfonamido)-N-(4-prop-2-enoxyphenyl)benzamide
CID 46764359
4-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 6459135
N-(4-prop-2-enoxyphenyl)thiophene-2-sulfonamide
CID 6493654
(4-prop-2-enoxyphenyl)hydrazine
CID 14980521
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
1-fluorosulfonyloxy-4-prop-2-enoxybenzene
CID 168819364
N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide
CID 19992428
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
N-methyl-2-(4-prop-2-enoxyanilino)acetamide
CID 54821477
N-[4-[4-(methylsulfonylmethyl)phenoxy]phenyl]methanesulfonamide
CID 1269047
N-(4-methoxyphenyl)prop-2-ene-1-sulfonamide
CID 778782

Frequently Asked Questions

What is the IUPAC name of N-(4-prop-2-enoxyphenyl)methanesulfonamide?
The IUPAC name of N-(4-prop-2-enoxyphenyl)methanesulfonamide (CID 15675894) is N-(4-prop-2-enoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-(4-prop-2-enoxyphenyl)methanesulfonamide?
The canonical SMILES for N-(4-prop-2-enoxyphenyl)methanesulfonamide is C=CCOc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(4-prop-2-enoxyphenyl)methanesulfonamide?
The InChIKey is BMRCVKFDCBXANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-8-14-10-6-4-9(5-7-10)11-15(2,12)13/h3-7,11H,1,8H2,2H3.
What are the key properties of N-(4-prop-2-enoxyphenyl)methanesulfonamide?
N-(4-prop-2-enoxyphenyl)methanesulfonamide 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-prop-2-enoxyphenyl)methanesulfonamide is sourced from PubChem (CID 15675894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).