5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide

C12H8BrClN2O3S2 — CID 80577549

IUPAC5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide
SMILESN#CCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H8BrClN2O3S2/c13-12-8(14)7-11(20-12)21(17,18)16-9-3-1-2-4-10(9)19-6-5-15/h1-4,7,16H,6H2
InChIKeyUQDVTHPIVSTZOQ-UHFFFAOYSA-N
MW407.70 g/mol
LogP3.87
Rot. Bonds5

About 5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 80577549) has the molecular formula C12H8BrClN2O3S2 and a molecular weight of 407.70 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID80577549
Molecular FormulaC12H8BrClN2O3S2
Molecular Weight407.70 g/mol
Exact Mass405.88
IUPAC Name5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide
SMILESN#CCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H8BrClN2O3S2/c13-12-8(14)7-11(20-12)21(17,18)16-9-3-1-2-4-10(9)19-6-5-15/h1-4,7,16H,6H2
InChIKeyUQDVTHPIVSTZOQ-UHFFFAOYSA-N
XLogP3.87
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.70
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyanomethoxy)phenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103414535
5-bromo-N-[2-(bromomethyl)phenyl]-4-chlorothiophene-2-sulfonamide
CID 114296086
4-bromo-N-[2-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369751
5-bromo-4-chloro-N-(2-propylphenyl)thiophene-2-sulfonamide
CID 80579944
5-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-chlorothiophene-2-sulfonamide
CID 107792917
5-bromo-4-chloro-N-(5-chloro-2-cyanophenyl)thiophene-2-sulfonamide
CID 80577587
5-bromo-4-chloro-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 80578641
5-bromo-4-chloro-N-(2,4-dimethylphenyl)thiophene-2-sulfonamide
CID 80578616
5-bromo-4-chloro-N-(3-ethoxyphenyl)thiophene-2-sulfonamide
CID 80578716
3-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 104740611
5-bromo-4-chloro-N-(2-hydroxy-6-methoxyphenyl)thiophene-2-sulfonamide
CID 114764783
5-bromo-4-chloro-N-(3-chloro-4-ethoxyphenyl)thiophene-2-sulfonamide
CID 80577849

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide (CID 80577549) is 5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide is N#CCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is UQDVTHPIVSTZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O3S2/c13-12-8(14)7-11(20-12)21(17,18)16-9-3-1-2-4-10(9)19-6-5-15/h1-4,7,16H,6H2.
What are the key properties of 5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 407.70 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[2-(cyanomethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 80577549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).