N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide

C10H13NO3S — CID 67807537

IUPACN-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(c1ccc(O)cc1)S(C)(=O)=O
InChIInChI=1S/C10H13NO3S/c1-3-8-11(15(2,13)14)9-4-6-10(12)7-5-9/h3-7,12H,1,8H2,2H3
InChIKeyBKRWJHZWDNQRQZ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.34
Rot. Bonds4

About N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide

N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide (PubChem CID 67807537) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide
PubChem CID67807537
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(c1ccc(O)cc1)S(C)(=O)=O
InChIInChI=1S/C10H13NO3S/c1-3-8-11(15(2,13)14)9-4-6-10(12)7-5-9/h3-7,12H,1,8H2,2H3
InChIKeyBKRWJHZWDNQRQZ-UHFFFAOYSA-N
XLogP1.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.34
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-bromophenyl)-N-prop-2-enylmethanesulfonamide
CID 10946182
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
N-(2-methylphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 967212
N-cyclohexyl-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 961960
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-N-prop-2-enylmethanesulfonamide
CID 2967848
N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 53280013
4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide
CID 2975458
N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 21176284
N-(2-ethoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 5023290
N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide
CID 11325190
4-[methylsulfonyl(prop-2-enyl)amino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100511540
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 92679749

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide (CID 67807537) is N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide is C=CCN(c1ccc(O)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide?
The InChIKey is BKRWJHZWDNQRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-8-11(15(2,13)14)9-4-6-10(12)7-5-9/h3-7,12H,1,8H2,2H3.
What are the key properties of N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide?
N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 67807537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).