N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide

C18H26FN7O2S — CID 164916650

About N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 164916650) has the molecular formula C18H26FN7O2S and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

• Compound Name: N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide
• PubChem CID: 164916650
• Molecular Formula: C18H26FN7O2S
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.19
• IUPAC Name: N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide
• SMILES: Cc1ccc(F)c([C@@H](C)[C@H](NS(=O)(=O)c2cn(C)nc2C)C2=NNN(C)N2)c1C
• InChI: InChI=1S/C18H26FN7O2S/c1-10-7-8-14(19)16(11(10)2)12(3)17(18-20-24-26(6)22-18)23-29(27,28)15-9-25(5)21-13(15)4/h7-9,12,17,23-24H,1-6H3,(H,20,22)/t12-,17+/m1/s1
• InChIKey: UOCFBYRGDLHSSR-PXAZEXFGSA-N
• XLogP: 1.20
• TPSA: 103.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide?

The IUPAC name of N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 164916650) is N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide.

What is the SMILES notation for N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide?

The canonical SMILES for N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1ccc(F)c([C@@H](C)[C@H](NS(=O)(=O)c2cn(C)nc2C)C2=NNN(C)N2)c1C.

What is the InChIKey of N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide?

The InChIKey is UOCFBYRGDLHSSR-PXAZEXFGSA-N. The full InChI is InChI=1S/C18H26FN7O2S/c1-10-7-8-14(19)16(11(10)2)12(3)17(18-20-24-26(6)22-18)23-29(27,28)15-9-25(5)21-13(15)4/h7-9,12,17,23-24H,1-6H3,(H,20,22)/t12-,17+/m1/s1.

What are the key properties of N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide?

N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 423.52 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(2-methyl-1,3-dihydrotetrazol-5-yl)propyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 164916650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).