5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide

C11H9BrClN3O2S — CID 116795237

IUPAC5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C11H9BrClN3O2S/c1-7-2-3-8(12)6-9(7)19(17,18)16-10-4-5-14-11(13)15-10/h2-6H,1H3,(H,14,15,16)
InChIKeyWYUIDXGQTVQGST-UHFFFAOYSA-N
MW362.64 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide

5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide (PubChem CID 116795237) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is 5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide
PubChem CID116795237
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC Name5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(Cl)n1
InChIInChI=1S/C11H9BrClN3O2S/c1-7-2-3-8(12)6-9(7)19(17,18)16-10-4-5-14-11(13)15-10/h2-6H,1H3,(H,14,15,16)
InChIKeyWYUIDXGQTVQGST-UHFFFAOYSA-N
XLogP3.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2-chloropyrimidin-4-yl)-2-ethoxybenzenesulfonamide
CID 116798881
2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
CID 116795242
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
2,5-dibromo-N-(2-chloropyrimidin-4-yl)thiophene-3-sulfonamide
CID 116798850
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 107266690
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-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
CID 116798900
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide (CID 116795237) is 5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccnc(Cl)n1.
What is the InChIKey of 5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is WYUIDXGQTVQGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c1-7-2-3-8(12)6-9(7)19(17,18)16-10-4-5-14-11(13)15-10/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide?
5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 362.64 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloropyrimidin-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 116795237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).