3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide

C12H10F3N3O2S — CID 103303165

IUPAC3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide
SMILESNc1cccnc1S(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)8-4-1-2-6-10(8)18-21(19,20)11-9(16)5-3-7-17-11/h1-7,18H,16H2
InChIKeyOIEJZAYEWOFVFG-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide

3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide (PubChem CID 103303165) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide
PubChem CID103303165
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide
SMILESNc1cccnc1S(=O)(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)8-4-1-2-6-10(8)18-21(19,20)11-9(16)5-3-7-17-11/h1-7,18H,16H2
InChIKeyOIEJZAYEWOFVFG-UHFFFAOYSA-N
XLogP2.48
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-phenylpyridine-2-sulfonamide
CID 15358385
3-amino-N-(3-bromo-2-methylphenyl)pyridine-2-sulfonamide
CID 107630481
3-amino-N-(2,6-difluorophenyl)pyridine-2-sulfonamide
CID 103304250
3-amino-N-(2-chloro-4-fluorophenyl)pyridine-2-sulfonamide
CID 103304304
3-amino-N-(2-chloro-5-fluorophenyl)pyridine-2-sulfonamide
CID 107531133
N-[2-(dimethylamino)-3-pyridinyl]-2-(trifluoromethyl)benzenesulfonamide
CID 86800776
3-amino-N-(5-bromo-2-methylphenyl)pyridine-2-sulfonamide
CID 103304878
3-amino-N-(5-bromo-2-chlorophenyl)pyridine-2-sulfonamide
CID 103305837
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
3-amino-N-(3-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303464
3-amino-N-(5-fluoro-2-pyridinyl)pyridine-2-sulfonamide
CID 103306339
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide?
The IUPAC name of 3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide (CID 103303165) is 3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide?
The canonical SMILES for 3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide is Nc1cccnc1S(=O)(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide?
The InChIKey is OIEJZAYEWOFVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-4-1-2-6-10(8)18-21(19,20)11-9(16)5-3-7-17-11/h1-7,18H,16H2.
What are the key properties of 3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide?
3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide has a molecular weight of 317.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 103303165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).