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N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide

C12H12F2N4O2S — CID 62158054

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H12F2N4O2S/c1-15-12-16-6-9(7-17-12)21(19,20)18-5-8-2-3-10(13)11(14)4-8/h2-4,6-7,18H,5H2,1H3,(H,15,16,17)
InChIKeyUAMITZLPJRKAKV-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.27
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide

N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide (PubChem CID 62158054) has the molecular formula C12H12F2N4O2S and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
PubChem CID62158054
Molecular FormulaC12H12F2N4O2S
Molecular Weight314.32 g/mol
Exact Mass314.06
IUPAC NameN-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
SMILESCNc1ncc(S(=O)(=O)NCc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C12H12F2N4O2S/c1-15-12-16-6-9(7-17-12)21(19,20)18-5-8-2-3-10(13)11(14)4-8/h2-4,6-7,18H,5H2,1H3,(H,15,16,17)
InChIKeyUAMITZLPJRKAKV-UHFFFAOYSA-N
XLogP1.27
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide (CID 62158054) is N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide is CNc1ncc(S(=O)(=O)NCc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
The InChIKey is UAMITZLPJRKAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2S/c1-15-12-16-6-9(7-17-12)21(19,20)18-5-8-2-3-10(13)11(14)4-8/h2-4,6-7,18H,5H2,1H3,(H,15,16,17).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide?
N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide has a molecular weight of 314.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide is sourced from PubChem (CID 62158054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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