2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide

C19H18FN3O2S — CID 175591554

IUPAC2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide
SMILESCNCc1cc(F)c(-c2ncccc2S(N)(=O)=O)c(-c2ccccc2)c1
InChIInChI=1S/C19H18FN3O2S/c1-22-12-13-10-15(14-6-3-2-4-7-14)18(16(20)11-13)19-17(26(21,24)25)8-5-9-23-19/h2-11,22H,12H2,1H3,(H2,21,24,25)
InChIKeySGORQJBDTWKAMY-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.92
Rot. Bonds5

About 2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide

2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide (PubChem CID 175591554) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide
PubChem CID175591554
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide
SMILESCNCc1cc(F)c(-c2ncccc2S(N)(=O)=O)c(-c2ccccc2)c1
InChIInChI=1S/C19H18FN3O2S/c1-22-12-13-10-15(14-6-3-2-4-7-14)18(16(20)11-13)19-17(26(21,24)25)8-5-9-23-19/h2-11,22H,12H2,1H3,(H2,21,24,25)
InChIKeySGORQJBDTWKAMY-UHFFFAOYSA-N
XLogP2.92
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide?
The IUPAC name of 2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide (CID 175591554) is 2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide is CNCc1cc(F)c(-c2ncccc2S(N)(=O)=O)c(-c2ccccc2)c1.
What is the InChIKey of 2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide?
The InChIKey is SGORQJBDTWKAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-22-12-13-10-15(14-6-3-2-4-7-14)18(16(20)11-13)19-17(26(21,24)25)8-5-9-23-19/h2-11,22H,12H2,1H3,(H2,21,24,25).
What are the key properties of 2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide?
2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide has a molecular weight of 371.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(methylaminomethyl)-6-phenylphenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 175591554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).