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

C10H12BrNO2S — CID 10946182

IUPACN-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C10H12BrNO2S/c1-3-8-12(15(2,13)14)10-6-4-9(11)5-7-10/h3-7H,1,8H2,2H3
InChIKeyLUKWJJDBURRHAA-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.40
Rot. Bonds4

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

N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide (PubChem CID 10946182) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide
PubChem CID10946182
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC NameN-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide
SMILESC=CCN(c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C10H12BrNO2S/c1-3-8-12(15(2,13)14)10-6-4-9(11)5-7-10/h3-7H,1,8H2,2H3
InChIKeyLUKWJJDBURRHAA-UHFFFAOYSA-N
XLogP2.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)-N-prop-2-enylmethanesulfonamide
CID 67807537
4-[methylsulfonyl(prop-2-enyl)amino]-N-phenylbenzamide
CID 967226
N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 21176284
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
4-(4-bromo-N-methylsulfonylanilino)butanoic acid
CID 50890894
ethyl 2-(4-bromo-N-methylsulfonylanilino)acetate
CID 50890872
N-(2-iodophenyl)-N-prop-2-enylmethanesulfonamide
CID 11325190
3-(4-bromo-N-methylsulfonylanilino)-N,N-diethylpropanamide
CID 113144433
4-[methylsulfonyl(prop-2-enyl)amino]-N-(2-phenylphenyl)benzamide
CID 2975458
N-(1-methylpiperidin-4-yl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 53280013

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide?
The IUPAC name of N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide (CID 10946182) is N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide is C=CCN(c1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide?
The InChIKey is LUKWJJDBURRHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-3-8-12(15(2,13)14)10-6-4-9(11)5-7-10/h3-7H,1,8H2,2H3.
What are the key properties of N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide?
N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-prop-2-enylmethanesulfonamide is sourced from PubChem (CID 10946182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).