2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide

C17H20BrNO4S — CID 3482971

IUPAC2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C17H20BrNO4S/c1-3-23-15-9-8-13(12-16(15)22-2)10-11-19-24(20,21)17-7-5-4-6-14(17)18/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyCFCFHLMLXDPFEG-UHFFFAOYSA-N
MW414.32 g/mol
LogP3.38
Rot. Bonds8

About 2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide

2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 3482971) has the molecular formula C17H20BrNO4S and a molecular weight of 414.32 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID3482971
Molecular FormulaC17H20BrNO4S
Molecular Weight414.32 g/mol
Exact Mass413.03
IUPAC Name2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2ccccc2Br)cc1OC
InChIInChI=1S/C17H20BrNO4S/c1-3-23-15-9-8-13(12-16(15)22-2)10-11-19-24(20,21)17-7-5-4-6-14(17)18/h4-9,12,19H,3,10-11H2,1-2H3
InChIKeyCFCFHLMLXDPFEG-UHFFFAOYSA-N
XLogP3.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-2-nitrobenzenesulfonamide
CID 3836632
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3734438
8-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3869525
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3699992
2-bromo-N-[2-(5-bromo-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 5181856
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 91758594
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 55353251
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
5-bromo-2-ethoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 4830347
2,3,4-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2729546
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide (CID 3482971) is 2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide is CCOc1ccc(CCNS(=O)(=O)c2ccccc2Br)cc1OC.
What is the InChIKey of 2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is CFCFHLMLXDPFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO4S/c1-3-23-15-9-8-13(12-16(15)22-2)10-11-19-24(20,21)17-7-5-4-6-14(17)18/h4-9,12,19H,3,10-11H2,1-2H3.
What are the key properties of 2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide?
2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 414.32 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3482971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).