N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide

C11H14BrNO2S — CID 167991901

IUPACN-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide
SMILESC=CS(=O)(=O)N(C)C(C)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2S/c1-4-16(14,15)13(3)9(2)10-5-7-11(12)8-6-10/h4-9H,1H2,2-3H3
InChIKeyBCKMOZOSRBBGHZ-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.92
Rot. Bonds4

About N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide

N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide (PubChem CID 167991901) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide
PubChem CID167991901
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC NameN-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide
SMILESC=CS(=O)(=O)N(C)C(C)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2S/c1-4-16(14,15)13(3)9(2)10-5-7-11(12)8-6-10/h4-9H,1H2,2-3H3
InChIKeyBCKMOZOSRBBGHZ-UHFFFAOYSA-N
XLogP2.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
1-bromo-4-but-3-en-2-ylbenzene
CID 575789
1-bromo-4-[(2R)-but-3-en-2-yl]benzene
CID 11241287
1-(4-bromo-2-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylmethanesulfonamide
CID 95789740
5-bromo-N,2-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60660954
N-[(4-bromophenyl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 46551617
4-[1-[(4-bromophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615150
(E)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-phenylethenesulfonamide
CID 42947447
4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61068098
1-bromo-4-ethenylsulfonylbenzene
CID 13492339
(2R)-2-(4-bromophenyl)propanal
CID 39243198
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide (CID 167991901) is N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide is C=CS(=O)(=O)N(C)C(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide?
The InChIKey is BCKMOZOSRBBGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-4-16(14,15)13(3)9(2)10-5-7-11(12)8-6-10/h4-9H,1H2,2-3H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide?
N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide has a molecular weight of 304.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-N-methylethenesulfonamide is sourced from PubChem (CID 167991901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).