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

C15H16BrNO3S — CID 1073737

IUPAC5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C15H16BrNO3S/c1-20-14-8-7-13(16)11-15(14)21(18,19)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyWOAXLJWKQPNVKH-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.98
Rot. Bonds6

About 5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide

5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1073737) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1073737
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C15H16BrNO3S/c1-20-14-8-7-13(16)11-15(14)21(18,19)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyWOAXLJWKQPNVKH-UHFFFAOYSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide (CID 1073737) is 5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of 5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is WOAXLJWKQPNVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-20-14-8-7-13(16)11-15(14)21(18,19)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide?
5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1073737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).