N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide

C11H9BrClN3O2S — CID 43805950

IUPACN-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C11H9BrClN3O2S/c1-7-2-3-8(12)4-10(7)16-19(17,18)9-5-14-11(13)15-6-9/h2-6,16H,1H3
InChIKeyFTTDYWLMBDIQCR-UHFFFAOYSA-N
MW362.64 g/mol
LogP3.00
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide

N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide (PubChem CID 43805950) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
PubChem CID43805950
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC NameN-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)c1cnc(Cl)nc1
InChIInChI=1S/C11H9BrClN3O2S/c1-7-2-3-8(12)4-10(7)16-19(17,18)9-5-14-11(13)15-6-9/h2-6,16H,1H3
InChIKeyFTTDYWLMBDIQCR-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

6-amino-N-(5-bromo-2-methylphenyl)-5-chloropyridine-3-sulfonamide
CID 64602240
N-(5-bromo-2-methylphenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62146677
N-(4-bromo-2,6-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 43456516
2-chloro-N-(3,5-dimethylphenyl)pyrimidine-5-sulfonamide
CID 43456340
N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
CID 4729843
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
4-bromo-1-methyl-2-(sulfamoylamino)benzene
CID 112573557
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 65489476

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide (CID 43805950) is N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide is Cc1ccc(Br)cc1NS(=O)(=O)c1cnc(Cl)nc1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide?
The InChIKey is FTTDYWLMBDIQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c1-7-2-3-8(12)4-10(7)16-19(17,18)9-5-14-11(13)15-6-9/h2-6,16H,1H3.
What are the key properties of N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide?
N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide 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 N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide is sourced from PubChem (CID 43805950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).