2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide

C14H13BrFNO3S — CID 61063205

IUPAC2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide
SMILESCCOc1cc(F)ccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H13BrFNO3S/c1-2-20-13-9-10(16)7-8-12(13)17-21(18,19)14-6-4-3-5-11(14)15/h3-9,17H,2H2,1H3
InChIKeyGZMDNIZHBGEUOO-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.79
Rot. Bonds5

About 2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide

2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide (PubChem CID 61063205) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide
PubChem CID61063205
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC Name2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide
SMILESCCOc1cc(F)ccc1NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H13BrFNO3S/c1-2-20-13-9-10(16)7-8-12(13)17-21(18,19)14-6-4-3-5-11(14)15/h3-9,17H,2H2,1H3
InChIKeyGZMDNIZHBGEUOO-UHFFFAOYSA-N
XLogP3.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61046258
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
N-(2,5-difluorophenyl)-4-ethoxynaphthalene-1-sulfonamide
CID 60579353
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
2-bromo-N-[4-[(2-bromo-4-fluorophenyl)sulfonylamino]naphthalen-1-yl]-4-fluorobenzenesulfonamide
CID 154653254
5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267785
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61045709
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
5-(aminomethyl)-2-bromo-N-(2-ethoxyphenyl)furan-3-sulfonamide
CID 106048841

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide (CID 61063205) is 2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide is CCOc1cc(F)ccc1NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide?
The InChIKey is GZMDNIZHBGEUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c1-2-20-13-9-10(16)7-8-12(13)17-21(18,19)14-6-4-3-5-11(14)15/h3-9,17H,2H2,1H3.
What are the key properties of 2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide?
2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethoxy-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 61063205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).