2-bromo-6-(2-methylsulfonylethylamino)benzonitrile

C10H11BrN2O2S — CID 114880667

IUPAC2-bromo-6-(2-methylsulfonylethylamino)benzonitrile
SMILESCS(=O)(=O)CCNc1cccc(Br)c1C#N
InChIInChI=1S/C10H11BrN2O2S/c1-16(14,15)6-5-13-10-4-2-3-9(11)8(10)7-12/h2-4,13H,5-6H2,1H3
InChIKeyVEFQDDPTOISHDV-UHFFFAOYSA-N
MW303.18 g/mol
LogP1.78
Rot. Bonds4

About 2-bromo-6-(2-methylsulfonylethylamino)benzonitrile

2-bromo-6-(2-methylsulfonylethylamino)benzonitrile (PubChem CID 114880667) has the molecular formula C10H11BrN2O2S and a molecular weight of 303.18 g/mol. Its IUPAC name is 2-bromo-6-(2-methylsulfonylethylamino)benzonitrile.

Molecular Properties

Compound Name2-bromo-6-(2-methylsulfonylethylamino)benzonitrile
PubChem CID114880667
Molecular FormulaC10H11BrN2O2S
Molecular Weight303.18 g/mol
Exact Mass301.97
IUPAC Name2-bromo-6-(2-methylsulfonylethylamino)benzonitrile
SMILESCS(=O)(=O)CCNc1cccc(Br)c1C#N
InChIInChI=1S/C10H11BrN2O2S/c1-16(14,15)6-5-13-10-4-2-3-9(11)8(10)7-12/h2-4,13H,5-6H2,1H3
InChIKeyVEFQDDPTOISHDV-UHFFFAOYSA-N
XLogP1.78
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-cyanoanilino)ethanesulfonamide
CID 114880630
2-bromo-6-[2-(ethylamino)ethylamino]benzonitrile
CID 114884762
2-bromo-6-[2-(dimethylamino)ethylamino]benzonitrile
CID 114880402
2-bromo-6-[2-(diethylamino)ethylamino]benzonitrile
CID 114880409
2-bromo-6-(3-hydroxybutylamino)benzonitrile
CID 114881117
2-bromo-6-[2-(2-hydroxyethoxy)ethylamino]benzonitrile
CID 114880954
2-bromo-6-(2-phenoxyethylamino)benzonitrile
CID 114880862
4-(3-bromo-2-cyanoanilino)butanamide
CID 114880659
2-[2-(2-aminophenoxy)ethylamino]-6-bromobenzonitrile
CID 114887508
2-bromo-6-(pent-4-ynylamino)benzonitrile
CID 106222278
2-bromo-6-(3-hydroxypentylamino)benzonitrile
CID 114881411
2-[2-(3-bromo-2-cyanoanilino)ethoxy]acetamide
CID 106236951

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-methylsulfonylethylamino)benzonitrile?
The IUPAC name of 2-bromo-6-(2-methylsulfonylethylamino)benzonitrile (CID 114880667) is 2-bromo-6-(2-methylsulfonylethylamino)benzonitrile.
What is the SMILES notation for 2-bromo-6-(2-methylsulfonylethylamino)benzonitrile?
The canonical SMILES for 2-bromo-6-(2-methylsulfonylethylamino)benzonitrile is CS(=O)(=O)CCNc1cccc(Br)c1C#N.
What is the InChIKey of 2-bromo-6-(2-methylsulfonylethylamino)benzonitrile?
The InChIKey is VEFQDDPTOISHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2S/c1-16(14,15)6-5-13-10-4-2-3-9(11)8(10)7-12/h2-4,13H,5-6H2,1H3.
What are the key properties of 2-bromo-6-(2-methylsulfonylethylamino)benzonitrile?
2-bromo-6-(2-methylsulfonylethylamino)benzonitrile has a molecular weight of 303.18 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-methylsulfonylethylamino)benzonitrile is sourced from PubChem (CID 114880667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).