N-benzyl-2-bromo-N-ethylbenzenesulfonamide

C15H16BrNO2S — CID 44602054

IUPACN-benzyl-2-bromo-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H16BrNO2S/c1-2-17(12-13-8-4-3-5-9-13)20(18,19)15-11-7-6-10-14(15)16/h3-11H,2,12H2,1H3
InChIKeyROZRKCRKCYTFCR-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.66
Rot. Bonds5

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

N-benzyl-2-bromo-N-ethylbenzenesulfonamide (PubChem CID 44602054) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-benzyl-2-bromo-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-N-ethylbenzenesulfonamide
PubChem CID44602054
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-benzyl-2-bromo-N-ethylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C15H16BrNO2S/c1-2-17(12-13-8-4-3-5-9-13)20(18,19)15-11-7-6-10-14(15)16/h3-11H,2,12H2,1H3
InChIKeyROZRKCRKCYTFCR-UHFFFAOYSA-N
XLogP3.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-N-ethylbenzenesulfonamide?
The IUPAC name of N-benzyl-2-bromo-N-ethylbenzenesulfonamide (CID 44602054) is N-benzyl-2-bromo-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-2-bromo-N-ethylbenzenesulfonamide?
The canonical SMILES for N-benzyl-2-bromo-N-ethylbenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of N-benzyl-2-bromo-N-ethylbenzenesulfonamide?
The InChIKey is ROZRKCRKCYTFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-2-17(12-13-8-4-3-5-9-13)20(18,19)15-11-7-6-10-14(15)16/h3-11H,2,12H2,1H3.
What are the key properties of N-benzyl-2-bromo-N-ethylbenzenesulfonamide?
N-benzyl-2-bromo-N-ethylbenzenesulfonamide has a molecular weight of 354.27 g/mol, XLogP of 3.66, 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-ethylbenzenesulfonamide is sourced from PubChem (CID 44602054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).