N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide

C11H9BrCl2N4O2S — CID 107793260

IUPACN-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)cn1
InChIInChI=1S/C11H9BrCl2N4O2S/c1-15-11-16-4-6(5-17-11)21(19,20)18-8-3-2-7(12)9(13)10(8)14/h2-5,18H,1H3,(H,15,16,17)
InChIKeyJFMZSGGOFGCCON-UHFFFAOYSA-N
MW412.10 g/mol
LogP3.39
Rot. Bonds4

About N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide

N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 107793260) has the molecular formula C11H9BrCl2N4O2S and a molecular weight of 412.10 g/mol. Its IUPAC name is N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID107793260
Molecular FormulaC11H9BrCl2N4O2S
Molecular Weight412.10 g/mol
Exact Mass409.90
IUPAC NameN-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)cn1
InChIInChI=1S/C11H9BrCl2N4O2S/c1-15-11-16-4-6(5-17-11)21(19,20)18-8-3-2-7(12)9(13)10(8)14/h2-5,18H,1H3,(H,15,16,17)
InChIKeyJFMZSGGOFGCCON-UHFFFAOYSA-N
XLogP3.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.10
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-2-chloropyrimidine-5-sulfonamide
CID 107788764
N-(4-bromo-2,3-dichlorophenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107793245
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62142847
N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107810157
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840
N-(4-bromo-2,3-dichlorophenyl)-4-(bromomethyl)benzenesulfonamide
CID 107792813
5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107794856
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144203
N-(4-bromo-2,3-dichlorophenyl)-3-hydroxybenzenesulfonamide
CID 107791874
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890
N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107794350

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide (CID 107793260) is N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2Cl)cn1.
What is the InChIKey of N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is JFMZSGGOFGCCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N4O2S/c1-15-11-16-4-6(5-17-11)21(19,20)18-8-3-2-7(12)9(13)10(8)14/h2-5,18H,1H3,(H,15,16,17).
What are the key properties of N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 412.10 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 107793260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).