3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide

C15H16BrNO3S — CID 1120509

IUPAC3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1Br
InChIInChI=1S/C15H16BrNO3S/c1-20-15-8-7-13(11-14(15)16)21(18,19)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyGWIWIZIVKUENBV-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.98
Rot. Bonds6

About 3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide

3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1120509) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1120509
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1Br
InChIInChI=1S/C15H16BrNO3S/c1-20-15-8-7-13(11-14(15)16)21(18,19)17-10-9-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3
InChIKeyGWIWIZIVKUENBV-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

3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 25040485
4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
3-bromo-4-methoxy-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 32945181
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 31391788
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
2-bromo-1-methoxy-4-(1-phenylpentan-3-ylsulfonyl)benzene
CID 170743974
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1314394

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide (CID 1120509) is 3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is GWIWIZIVKUENBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-20-15-8-7-13(11-14(15)16)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 3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
3-bromo-4-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 3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1120509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).