4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide

C15H16BrNO3S — CID 1092303

IUPAC4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO3S/c1-20-14-6-2-12(3-7-14)10-11-17-21(18,19)15-8-4-13(16)5-9-15/h2-9,17H,10-11H2,1H3
InChIKeyPXXXUXRFAPYCDZ-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.98
Rot. Bonds6

About 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide

4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 1092303) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID1092303
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO3S/c1-20-14-6-2-12(3-7-14)10-11-17-21(18,19)15-8-4-13(16)5-9-15/h2-9,17H,10-11H2,1H3
InChIKeyPXXXUXRFAPYCDZ-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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Related Compounds

N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 779351
2-methoxy-5-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 967887
N-benzyl-4-bromo-3-methoxybenzenesulfonamide
CID 2221948
N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 841713
5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 1317233
N-benzyl-5-bromo-2-methoxybenzenesulfonamide
CID 1073736
N-benzyl-3-bromo-4-methoxybenzenesulfonamide
CID 1120507

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide (CID 1092303) is 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is PXXXUXRFAPYCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-20-14-6-2-12(3-7-14)10-11-17-21(18,19)15-8-4-13(16)5-9-15/h2-9,17H,10-11H2,1H3.
What are the key properties of 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide?
4-bromo-N-[2-(4-methoxyphenyl)ethyl]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 4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 1092303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).