2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide

C11H8Br2ClN3O2S — CID 116795242

IUPAC2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccnc(Cl)n2)cc1Br
InChIInChI=1S/C11H8Br2ClN3O2S/c1-6-4-8(13)9(5-7(6)12)20(18,19)17-10-2-3-15-11(14)16-10/h2-5H,1H3,(H,15,16,17)
InChIKeyKYHVDURXJZMBLY-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.76
Rot. Bonds3

About 2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide (PubChem CID 116795242) has the molecular formula C11H8Br2ClN3O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
PubChem CID116795242
Molecular FormulaC11H8Br2ClN3O2S
Molecular Weight441.53 g/mol
Exact Mass438.84
IUPAC Name2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccnc(Cl)n2)cc1Br
InChIInChI=1S/C11H8Br2ClN3O2S/c1-6-4-8(13)9(5-7(6)12)20(18,19)17-10-2-3-15-11(14)16-10/h2-5H,1H3,(H,15,16,17)
InChIKeyKYHVDURXJZMBLY-UHFFFAOYSA-N
XLogP3.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide
CID 116795237
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
4-bromo-3-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794818
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
CID 116798850
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
2,5-dibromo-N-(5-iodo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 81326894
5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
CID 116798881
4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
CID 116794707
2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794766
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide (CID 116795242) is 2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2ccnc(Cl)n2)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is KYHVDURXJZMBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClN3O2S/c1-6-4-8(13)9(5-7(6)12)20(18,19)17-10-2-3-15-11(14)16-10/h2-5H,1H3,(H,15,16,17).
What are the key properties of 2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 441.53 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 116795242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).