4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide

C7H9F2N3O2S — CID 118800250

IUPAC4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide
SMILESCc1c(C(F)F)ncc(S(N)(=O)=O)c1N
InChIInChI=1S/C7H9F2N3O2S/c1-3-5(10)4(15(11,13)14)2-12-6(3)7(8)9/h2,7H,1H3,(H2,10,12)(H2,11,13,14)
InChIKeyCTJIRCRLLDWKAX-UHFFFAOYSA-N
MW237.23 g/mol
LogP0.56
Rot. Bonds2

About 4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide

4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide (PubChem CID 118800250) has the molecular formula C7H9F2N3O2S and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide
PubChem CID118800250
Molecular FormulaC7H9F2N3O2S
Molecular Weight237.23 g/mol
Exact Mass237.04
IUPAC Name4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide
SMILESCc1c(C(F)F)ncc(S(N)(=O)=O)c1N
InChIInChI=1S/C7H9F2N3O2S/c1-3-5(10)4(15(11,13)14)2-12-6(3)7(8)9/h2,7H,1H3,(H2,10,12)(H2,11,13,14)
InChIKeyCTJIRCRLLDWKAX-UHFFFAOYSA-N
XLogP0.56
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide?
The IUPAC name of 4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide (CID 118800250) is 4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide?
The canonical SMILES for 4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide is Cc1c(C(F)F)ncc(S(N)(=O)=O)c1N.
What is the InChIKey of 4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide?
The InChIKey is CTJIRCRLLDWKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2S/c1-3-5(10)4(15(11,13)14)2-12-6(3)7(8)9/h2,7H,1H3,(H2,10,12)(H2,11,13,14).
What are the key properties of 4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide?
4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide has a molecular weight of 237.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(difluoromethyl)-5-methylpyridine-3-sulfonamide is sourced from PubChem (CID 118800250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).