N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane

C28H34F3N5O4S2 — CID 159357762

About N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane

N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane (PubChem CID 159357762) has the molecular formula C28H34F3N5O4S2 and a molecular weight of 625.74 g/mol. Its IUPAC name is N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane.

Molecular Properties

• Compound Name: N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane
• PubChem CID: 159357762
• Molecular Formula: C28H34F3N5O4S2
• Molecular Weight: 625.74 g/mol
• Exact Mass: 625.20
• IUPAC Name: N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane
• SMILES: Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)nc2N2C[C@@H](C)CC2(C)C)c1.S
• InChI: InChI=1S/C28H32F3N5O4S.H2S/c1-18-6-5-7-20(14-18)41(38,39)34-25(37)21-8-9-22(32-24(21)35-16-19(2)15-26(35,3)4)36-13-10-23(33-36)40-17-27(11-12-27)28(29,30)31;/h5-10,13-14,19H,11-12,15-17H2,1-4H3,(H,34,37);1H2/t19-;/m0./s1
• InChIKey: LIDHPRZKWBWSSO-FYZYNONXSA-N
• XLogP: 5.15
• TPSA: 106.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.74
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane?

The IUPAC name of N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane (CID 159357762) is N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane.

What is the SMILES notation for N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane?

The canonical SMILES for N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane is Cc1cccc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC4(C(F)(F)F)CC4)n3)nc2N2C[C@@H](C)CC2(C)C)c1.S.

What is the InChIKey of N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane?

The InChIKey is LIDHPRZKWBWSSO-FYZYNONXSA-N. The full InChI is InChI=1S/C28H32F3N5O4S.H2S/c1-18-6-5-7-20(14-18)41(38,39)34-25(37)21-8-9-22(32-24(21)35-16-19(2)15-26(35,3)4)36-13-10-23(33-36)40-17-27(11-12-27)28(29,30)31;/h5-10,13-14,19H,11-12,15-17H2,1-4H3,(H,34,37);1H2/t19-;/m0./s1.

What are the key properties of N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane?

N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane has a molecular weight of 625.74 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;sulfane is sourced from PubChem (CID 159357762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).