2-bromo-N-(2-phenylethyl)benzenesulfonamide

C14H14BrNO2S — CID 3740348

IUPAC2-bromo-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H14BrNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyAESWHHJFQKKGMN-UHFFFAOYSA-N
MW340.24 g/mol
LogP2.97
Rot. Bonds5

About 2-bromo-N-(2-phenylethyl)benzenesulfonamide

2-bromo-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 3740348) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-bromo-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-phenylethyl)benzenesulfonamide
PubChem CID3740348
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-bromo-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H14BrNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyAESWHHJFQKKGMN-UHFFFAOYSA-N
XLogP2.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-phenylethyl)benzenesulfonamide (CID 3740348) is 2-bromo-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-phenylethyl)benzenesulfonamide is O=S(=O)(NCCc1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is AESWHHJFQKKGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c15-13-8-4-5-9-14(13)19(17,18)16-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2.
What are the key properties of 2-bromo-N-(2-phenylethyl)benzenesulfonamide?
2-bromo-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 340.24 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3740348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).