5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide

C16H18BrNO2S — CID 61068907

IUPAC5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)CCc1ccccc1
InChIInChI=1S/C16H18BrNO2S/c1-13-8-9-15(17)12-16(13)21(19,20)18(2)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyUMIQJESRUFDPLK-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.62
Rot. Bonds5

About 5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide

5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 61068907) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is 5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID61068907
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC Name5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)N(C)CCc1ccccc1
InChIInChI=1S/C16H18BrNO2S/c1-13-8-9-15(17)12-16(13)21(19,20)18(2)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3
InChIKeyUMIQJESRUFDPLK-UHFFFAOYSA-N
XLogP3.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 61066587
5-bromo-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 60660829
5-bromo-N-(2-hydroxypropyl)-N,2-dimethylbenzenesulfonamide
CID 62334094
5-bromo-N,2-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60660954
3-[(5-bromo-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 113230949
5-bromo-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzenesulfonamide
CID 79386697
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylbenzenesulfonamide
CID 63420338
5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387662
4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide
CID 141141198
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 30328697
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide (CID 61068907) is 5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)N(C)CCc1ccccc1.
What is the InChIKey of 5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is UMIQJESRUFDPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-13-8-9-15(17)12-16(13)21(19,20)18(2)11-10-14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide?
5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,2-dimethyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 61068907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).