3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide

C14H13BrClNO3S — CID 63422726

IUPAC3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO3S/c1-2-20-14-7-6-11(16)9-13(14)17-21(18,19)12-5-3-4-10(15)8-12/h3-9,17H,2H2,1H3
InChIKeySMRXGIZOFFZGPP-UHFFFAOYSA-N
MW390.69 g/mol
LogP4.30
Rot. Bonds5

About 3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide

3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide (PubChem CID 63422726) has the molecular formula C14H13BrClNO3S and a molecular weight of 390.69 g/mol. Its IUPAC name is 3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
PubChem CID63422726
Molecular FormulaC14H13BrClNO3S
Molecular Weight390.69 g/mol
Exact Mass388.95
IUPAC Name3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrClNO3S/c1-2-20-14-7-6-11(16)9-13(14)17-21(18,19)12-5-3-4-10(15)8-12/h3-9,17H,2H2,1H3
InChIKeySMRXGIZOFFZGPP-UHFFFAOYSA-N
XLogP4.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
CID 9172723
N-(5-chloro-2-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267974
N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783
3-bromo-N-(2-ethoxy-3-pyridinyl)benzenesulfonamide
CID 47310443
N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030613
N-(5-chloro-2-ethoxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299319
3-bromo-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
CID 25358861
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
N-(3-chloro-2-methylphenyl)-3-ethoxy-4-fluorobenzenesulfonamide
CID 6456762
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide (CID 63422726) is 3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide?
The InChIKey is SMRXGIZOFFZGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3S/c1-2-20-14-7-6-11(16)9-13(14)17-21(18,19)12-5-3-4-10(15)8-12/h3-9,17H,2H2,1H3.
What are the key properties of 3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide?
3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 63422726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).