2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide

C10H6BrClFN3O2S — CID 116795250

IUPAC2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)c1ccc(F)cc1Br
InChIInChI=1S/C10H6BrClFN3O2S/c11-7-5-6(13)1-2-8(7)19(17,18)16-9-3-4-14-10(12)15-9/h1-5H,(H,14,15,16)
InChIKeyHSMGLESBGZIVKF-UHFFFAOYSA-N
MW366.60 g/mol
LogP2.83
Rot. Bonds3

About 2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide

2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide (PubChem CID 116795250) has the molecular formula C10H6BrClFN3O2S and a molecular weight of 366.60 g/mol. Its IUPAC name is 2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
PubChem CID116795250
Molecular FormulaC10H6BrClFN3O2S
Molecular Weight366.60 g/mol
Exact Mass364.90
IUPAC Name2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccnc(Cl)n1)c1ccc(F)cc1Br
InChIInChI=1S/C10H6BrClFN3O2S/c11-7-5-6(13)1-2-8(7)19(17,18)16-9-3-4-14-10(12)15-9/h1-5H,(H,14,15,16)
InChIKeyHSMGLESBGZIVKF-UHFFFAOYSA-N
XLogP2.83
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.60
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-chloropyrimidin-4-yl)-2-fluorobenzenesulfonamide
CID 116794707
2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
CID 116795242
2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 113456932
2-bromo-N-(2-chloro-4-methyl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 65490489
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
CID 116798850
5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide
CID 116795237
4-bromo-3-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794818
2-amino-4-chloro-N-(2-chloropyrimidin-4-yl)benzenesulfonamide
CID 116794766
2-bromo-4-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955831
2-bromo-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 60823438
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
4-[(2-bromo-4-fluorophenyl)sulfonylamino]pyridine-2-carboxylic acid
CID 63650957

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide (CID 116795250) is 2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccnc(Cl)n1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide?
The InChIKey is HSMGLESBGZIVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3O2S/c11-7-5-6(13)1-2-8(7)19(17,18)16-9-3-4-14-10(12)15-9/h1-5H,(H,14,15,16).
What are the key properties of 2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide?
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide has a molecular weight of 366.60 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 116795250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).