N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide

C12H13FN4O2S — CID 62144203

IUPACN-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(F)cc2C)cn1
InChIInChI=1S/C12H13FN4O2S/c1-8-5-9(13)3-4-11(8)17-20(18,19)10-6-15-12(14-2)16-7-10/h3-7,17H,1-2H3,(H,14,15,16)
InChIKeyAVEFEIZABYJRGJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.77
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide

N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62144203) has the molecular formula C12H13FN4O2S and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62144203
Molecular FormulaC12H13FN4O2S
Molecular Weight296.33 g/mol
Exact Mass296.07
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)Nc2ccc(F)cc2C)cn1
InChIInChI=1S/C12H13FN4O2S/c1-8-5-9(13)3-4-11(8)17-20(18,19)10-6-15-12(14-2)16-7-10/h3-7,17H,1-2H3,(H,14,15,16)
InChIKeyAVEFEIZABYJRGJ-UHFFFAOYSA-N
XLogP1.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62143840
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyridine-4-sulfonamide
CID 62144375
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(2-chloro-4-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62142847
3-N-(4-fluoro-2-methylphenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186982
2-(ethylamino)-N-(4-fluoro-2-iodophenyl)pyrimidine-5-sulfonamide
CID 79762345
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62228344
N-(4-chloro-2-iodophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 107630680
N-(2,6-difluorophenyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62144941
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide (CID 62144203) is N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)Nc2ccc(F)cc2C)cn1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is AVEFEIZABYJRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2S/c1-8-5-9(13)3-4-11(8)17-20(18,19)10-6-15-12(14-2)16-7-10/h3-7,17H,1-2H3,(H,14,15,16).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide?
N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 296.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62144203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).