N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

C19H17F3N4O2S — CID 67526456

About N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (PubChem CID 67526456) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
• PubChem CID: 67526456
• Molecular Formula: C19H17F3N4O2S
• Molecular Weight: 422.43 g/mol
• Exact Mass: 422.10
• IUPAC Name: N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
• SMILES: C[C@H]1[C@H](NS(=O)(=O)c2ccc(-n3cc(C(F)(F)F)cn3)nc2)[C@H]1c1ccccc1
• InChI: InChI=1S/C19H17F3N4O2S/c1-12-17(13-5-3-2-4-6-13)18(12)25-29(27,28)15-7-8-16(23-10-15)26-11-14(9-24-26)19(20,21)22/h2-12,17-18,25H,1H3/t12-,17-,18+/m1/s1
• InChIKey: YPMBPENDRYAWQJ-PJSAGSTRSA-N
• XLogP: 3.37
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.43
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?

The IUPAC name of N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (CID 67526456) is N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.

What is the SMILES notation for N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?

The canonical SMILES for N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is C[C@H]1[C@H](NS(=O)(=O)c2ccc(-n3cc(C(F)(F)F)cn3)nc2)[C@H]1c1ccccc1.

What is the InChIKey of N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?

The InChIKey is YPMBPENDRYAWQJ-PJSAGSTRSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c1-12-17(13-5-3-2-4-6-13)18(12)25-29(27,28)15-7-8-16(23-10-15)26-11-14(9-24-26)19(20,21)22/h2-12,17-18,25H,1H3/t12-,17-,18+/m1/s1.

What are the key properties of N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?

N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 422.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R,3R)-2-methyl-3-phenylcyclopropyl]-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 67526456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).