N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide

C7H9F2N3O2S — CID 61358244

IUPACN-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(c1ccncc1N)S(=O)(=O)C(F)F
InChIInChI=1S/C7H9F2N3O2S/c1-12(15(13,14)7(8)9)6-2-3-11-4-5(6)10/h2-4,7H,10H2,1H3
InChIKeyNDUISLUHMWMAJT-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.65
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide

N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 61358244) has the molecular formula C7H9F2N3O2S and a molecular weight of 237.23 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID61358244
Molecular FormulaC7H9F2N3O2S
Molecular Weight237.23 g/mol
Exact Mass237.04
IUPAC NameN-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(c1ccncc1N)S(=O)(=O)C(F)F
InChIInChI=1S/C7H9F2N3O2S/c1-12(15(13,14)7(8)9)6-2-3-11-4-5(6)10/h2-4,7H,10H2,1H3
InChIKeyNDUISLUHMWMAJT-UHFFFAOYSA-N
XLogP0.65
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide (CID 61358244) is N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide is CN(c1ccncc1N)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is NDUISLUHMWMAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2S/c1-12(15(13,14)7(8)9)6-2-3-11-4-5(6)10/h2-4,7H,10H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide?
N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 237.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 61358244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).