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

C10H14BrNO2S — CID 175834511

IUPAC2-(4-bromophenyl)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO2S/c1-12(2)15(13,14)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyBMMFSJUDSMJPIF-UHFFFAOYSA-N
MW292.20 g/mol
LogP1.88
Rot. Bonds4

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

2-(4-bromophenyl)-N,N-dimethylethanesulfonamide (PubChem CID 175834511) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N,N-dimethylethanesulfonamide
PubChem CID175834511
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name2-(4-bromophenyl)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCc1ccc(Br)cc1
InChIInChI=1S/C10H14BrNO2S/c1-12(2)15(13,14)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyBMMFSJUDSMJPIF-UHFFFAOYSA-N
XLogP1.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12594240
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4-(4-bromophenyl)-N,N-dimethylbutanamide
CID 158418152
N-[(4-bromophenyl)methyl]-N-(dimethylsulfamoyl)aniline
CID 2225801
1-(4-bromophenyl)-N-methyl-N-(oxan-4-yl)methanesulfonamide
CID 71271233
2-[2-(4-bromophenyl)ethylsulfonylmethyl]azetidine
CID 115071181
magnesium;1-bromo-4-propylbenzene;hydride
CID 173224874
2-[4-(4-hydroxyphenyl)butan-2-ylamino]-N,N-dimethylethanesulfonamide
CID 106335342
4-[methyl(2-phenylethylsulfonyl)amino]butanoic acid
CID 39385608
2-(4-bromo-2-cyanoanilino)-N,N-dimethylethanesulfonamide
CID 106338562
4-(4-bromophenyl)butan-2-one;ethane
CID 142922881
N-[(4-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60777785

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-(4-bromophenyl)-N,N-dimethylethanesulfonamide (CID 175834511) is 2-(4-bromophenyl)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-(4-bromophenyl)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-(4-bromophenyl)-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N,N-dimethylethanesulfonamide?
The InChIKey is BMMFSJUDSMJPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-12(2)15(13,14)8-7-9-3-5-10(11)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N,N-dimethylethanesulfonamide?
2-(4-bromophenyl)-N,N-dimethylethanesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 1.88, 4 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-dimethylethanesulfonamide is sourced from PubChem (CID 175834511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).