N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide

C11H10ClIN4O2S — CID 107630680

IUPACN-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2I)cn1
InChIInChI=1S/C11H10ClIN4O2S/c1-14-11-15-5-8(6-16-11)20(18,19)17-10-3-2-7(12)4-9(10)13/h2-6,17H,1H3,(H,14,15,16)
InChIKeyOPJXZWRAPFBHKK-UHFFFAOYSA-N
MW424.65 g/mol
LogP2.58
Rot. Bonds4

About N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide

N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 107630680) has the molecular formula C11H10ClIN4O2S and a molecular weight of 424.65 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID107630680
Molecular FormulaC11H10ClIN4O2S
Molecular Weight424.65 g/mol
Exact Mass423.93
IUPAC NameN-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2I)cn1
InChIInChI=1S/C11H10ClIN4O2S/c1-14-11-15-5-8(6-16-11)20(18,19)17-10-3-2-7(12)4-9(10)13/h2-6,17H,1H3,(H,14,15,16)
InChIKeyOPJXZWRAPFBHKK-UHFFFAOYSA-N
XLogP2.58
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.65
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62142847
N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840
N-(4-bromo-2,3-dichlorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107793260
N-(4-chloro-2-iodophenyl)-5-fluoropyridine-3-sulfonamide
CID 103763977
N-(2-chloro-4-cyanophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107810157
N-(2,4-dichlorophenyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329685
N-(4-chloro-2-iodophenyl)-4-methoxybenzenesulfonamide
CID 103764001
N-(4-chloro-2-iodophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 113257304
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
4-amino-N-(4-chloro-2-iodophenyl)-3-methylbenzenesulfonamide
CID 107624554
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144203
4-(bromomethyl)-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107629608

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide (CID 107630680) is N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2I)cn1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is OPJXZWRAPFBHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN4O2S/c1-14-11-15-5-8(6-16-11)20(18,19)17-10-3-2-7(12)4-9(10)13/h2-6,17H,1H3,(H,14,15,16).
What are the key properties of N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 424.65 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 107630680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).