5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide

C12H10BrCl2NO3S2 — CID 80577849

IUPAC5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)cc1Cl
InChIInChI=1S/C12H10BrCl2NO3S2/c1-2-19-10-4-3-7(5-8(10)14)16-21(17,18)11-6-9(15)12(13)20-11/h3-6,16H,2H2,1H3
InChIKeyIAZABBDWZSSTCO-UHFFFAOYSA-N
MW431.16 g/mol
LogP5.02
Rot. Bonds5

About 5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide (PubChem CID 80577849) has the molecular formula C12H10BrCl2NO3S2 and a molecular weight of 431.16 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
PubChem CID80577849
Molecular FormulaC12H10BrCl2NO3S2
Molecular Weight431.16 g/mol
Exact Mass428.87
IUPAC Name5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)cc1Cl
InChIInChI=1S/C12H10BrCl2NO3S2/c1-2-19-10-4-3-7(5-8(10)14)16-21(17,18)11-6-9(15)12(13)20-11/h3-6,16H,2H2,1H3
InChIKeyIAZABBDWZSSTCO-UHFFFAOYSA-N
XLogP5.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.16
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methylthiophene-2-sulfonamide
CID 107612767
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
2-amino-N-(3-chloro-4-ethoxyphenyl)benzenesulfonamide
CID 61125908
2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid
CID 60934471
5-bromo-4-chloro-N-(3-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 80578749
N-[3-(aminomethyl)phenyl]-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577855
5-bromo-4-chloro-N-[3-[(dimethylamino)methyl]phenyl]thiophene-2-sulfonamide
CID 80578453
N-(4-bromo-3-chlorophenyl)-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106090194

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide (CID 80577849) is 5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)s2)cc1Cl.
What is the InChIKey of 5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is IAZABBDWZSSTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NO3S2/c1-2-19-10-4-3-7(5-8(10)14)16-21(17,18)11-6-9(15)12(13)20-11/h3-6,16H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 431.16 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 80577849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).