N-benzyl-4-bromo-2-ethylbenzenesulfonamide

C15H16BrNO2S — CID 3552129

IUPACN-benzyl-4-bromo-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H16BrNO2S/c1-2-13-10-14(16)8-9-15(13)20(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKeyJIWDTCKLBWBZRL-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.49
Rot. Bonds5

About N-benzyl-4-bromo-2-ethylbenzenesulfonamide

N-benzyl-4-bromo-2-ethylbenzenesulfonamide (PubChem CID 3552129) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-benzyl-4-bromo-2-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-bromo-2-ethylbenzenesulfonamide
PubChem CID3552129
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-benzyl-4-bromo-2-ethylbenzenesulfonamide
SMILESCCc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C15H16BrNO2S/c1-2-13-10-14(16)8-9-15(13)20(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3
InChIKeyJIWDTCKLBWBZRL-UHFFFAOYSA-N
XLogP3.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-bromo-2-ethylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-bromo-2-ethylbenzenesulfonamide (CID 3552129) is N-benzyl-4-bromo-2-ethylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-bromo-2-ethylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-bromo-2-ethylbenzenesulfonamide is CCc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-bromo-2-ethylbenzenesulfonamide?
The InChIKey is JIWDTCKLBWBZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-2-13-10-14(16)8-9-15(13)20(18,19)17-11-12-6-4-3-5-7-12/h3-10,17H,2,11H2,1H3.
What are the key properties of N-benzyl-4-bromo-2-ethylbenzenesulfonamide?
N-benzyl-4-bromo-2-ethylbenzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-bromo-2-ethylbenzenesulfonamide is sourced from PubChem (CID 3552129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).