2-(4-bromophenyl)-N,N-dimethylethenesulfonamide

C10H12BrNO2S — CID 171130245

IUPAC2-(4-bromophenyl)-N,N-dimethylethenesulfonamide
SMILESCN(C)S(=O)(=O)C=Cc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2S/c1-12(2)15(13,14)8-7-9-3-5-10(11)6-4-9/h3-8H,1-2H3
InChIKeyIUSRGZYQRUMUTL-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.31
Rot. Bonds3

About 2-(4-bromophenyl)-N,N-dimethylethenesulfonamide

2-(4-bromophenyl)-N,N-dimethylethenesulfonamide (PubChem CID 171130245) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N,N-dimethylethenesulfonamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N,N-dimethylethenesulfonamide
PubChem CID171130245
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-(4-bromophenyl)-N,N-dimethylethenesulfonamide
SMILESCN(C)S(=O)(=O)C=Cc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO2S/c1-12(2)15(13,14)8-7-9-3-5-10(11)6-4-9/h3-8H,1-2H3
InChIKeyIUSRGZYQRUMUTL-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N,N-dimethylethenesulfonamide?
The IUPAC name of 2-(4-bromophenyl)-N,N-dimethylethenesulfonamide (CID 171130245) is 2-(4-bromophenyl)-N,N-dimethylethenesulfonamide.
What is the SMILES notation for 2-(4-bromophenyl)-N,N-dimethylethenesulfonamide?
The canonical SMILES for 2-(4-bromophenyl)-N,N-dimethylethenesulfonamide is CN(C)S(=O)(=O)C=Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N,N-dimethylethenesulfonamide?
The InChIKey is IUSRGZYQRUMUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-12(2)15(13,14)8-7-9-3-5-10(11)6-4-9/h3-8H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N,N-dimethylethenesulfonamide?
2-(4-bromophenyl)-N,N-dimethylethenesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N,N-dimethylethenesulfonamide is sourced from PubChem (CID 171130245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).