2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide

C8H4Br2ClN3O2S2 — CID 116798850

IUPAC2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)c1cc(Br)sc1Br
InChIInChI=1S/C8H4Br2ClN3O2S2/c9-5-3-4(7(10)17-5)18(15,16)14-6-1-2-12-8(11)13-6/h1-3H,(H,12,13,14)
InChIKeyOIASSXYITXGGSG-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.52
Rot. Bonds3

About 2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide

2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide (PubChem CID 116798850) has the molecular formula C8H4Br2ClN3O2S2 and a molecular weight of 433.53 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
PubChem CID116798850
Molecular FormulaC8H4Br2ClN3O2S2
Molecular Weight433.53 g/mol
Exact Mass430.78
IUPAC Name2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)c1cc(Br)sc1Br
InChIInChI=1S/C8H4Br2ClN3O2S2/c9-5-3-4(7(10)17-5)18(15,16)14-6-1-2-12-8(11)13-6/h1-3H,(H,12,13,14)
InChIKeyOIASSXYITXGGSG-UHFFFAOYSA-N
XLogP3.52
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide
CID 116795237
2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
CID 116795242
2,5-dibromo-N-(2-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 103601783
4-bromo-3-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794818
2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794766
5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
CID 116798881
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
CID 116794707
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
5-bromo-N-(4-bromo-2-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 102671870
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide (CID 116798850) is 2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide is O=S(=O)(Nc1ccnc(Cl)n1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide?
The InChIKey is OIASSXYITXGGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2ClN3O2S2/c9-5-3-4(7(10)17-5)18(15,16)14-6-1-2-12-8(11)13-6/h1-3H,(H,12,13,14).
What are the key properties of 2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide?
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide has a molecular weight of 433.53 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 116798850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).