N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide

C16H18BrNO2S — CID 60731895

IUPACN-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C16H18BrNO2S/c1-3-18(12-14-7-5-4-6-8-14)21(19,20)16-10-9-13(2)11-15(16)17/h4-11H,3,12H2,1-2H3
InChIKeyGLSDQEQAVMCYRP-UHFFFAOYSA-N
MW368.30 g/mol
LogP3.97
Rot. Bonds5

About N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide

N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 60731895) has the molecular formula C16H18BrNO2S and a molecular weight of 368.30 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
PubChem CID60731895
Molecular FormulaC16H18BrNO2S
Molecular Weight368.30 g/mol
Exact Mass367.02
IUPAC NameN-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C16H18BrNO2S/c1-3-18(12-14-7-5-4-6-8-14)21(19,20)16-10-9-13(2)11-15(16)17/h4-11H,3,12H2,1-2H3
InChIKeyGLSDQEQAVMCYRP-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 46457629
N-benzyl-2-bromo-4-methyl-N-phenylbenzenesulfonamide
CID 113232443
2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide
CID 113241829
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 114231124
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
CID 43258809
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 61217446
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-benzyl-5-bromo-N-ethyl-1-propanoyl-2,3-dihydroindole-6-sulfonamide
CID 46504855

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide (CID 60731895) is N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is GLSDQEQAVMCYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S/c1-3-18(12-14-7-5-4-6-8-14)21(19,20)16-10-9-13(2)11-15(16)17/h4-11H,3,12H2,1-2H3.
What are the key properties of N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide?
N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 368.30 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 60731895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).