2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide

C16H18BrNO5S — CID 27658176

IUPAC2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H18BrNO5S/c1-4-23-13-8-6-5-7-12(13)18-24(19,20)16-10-15(22-3)14(21-2)9-11(16)17/h5-10,18H,4H2,1-3H3
InChIKeyKJHSUIYPZYVXEF-UHFFFAOYSA-N
MW416.29 g/mol
LogP3.67
Rot. Bonds7

About 2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide

2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide (PubChem CID 27658176) has the molecular formula C16H18BrNO5S and a molecular weight of 416.29 g/mol. Its IUPAC name is 2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
PubChem CID27658176
Molecular FormulaC16H18BrNO5S
Molecular Weight416.29 g/mol
Exact Mass415.01
IUPAC Name2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C16H18BrNO5S/c1-4-23-13-8-6-5-7-12(13)18-24(19,20)16-10-15(22-3)14(21-2)9-11(16)17/h5-10,18H,4H2,1-3H3
InChIKeyKJHSUIYPZYVXEF-UHFFFAOYSA-N
XLogP3.67
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39847542
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide
CID 61063205
5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
CID 106048841
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
2-bromo-4,5-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 112773656
2-bromo-N-(2,6-dimethylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658198
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide (CID 27658176) is 2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide?
The InChIKey is KJHSUIYPZYVXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO5S/c1-4-23-13-8-6-5-7-12(13)18-24(19,20)16-10-15(22-3)14(21-2)9-11(16)17/h5-10,18H,4H2,1-3H3.
What are the key properties of 2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide?
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide has a molecular weight of 416.29 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 27658176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).