(1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide

C26H21F3N4O2S — CID 142424020

About (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide

(1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 142424020) has the molecular formula C26H21F3N4O2S and a molecular weight of 510.54 g/mol. Its IUPAC name is (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

• Compound Name: (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
• PubChem CID: 142424020
• Molecular Formula: C26H21F3N4O2S
• Molecular Weight: 510.54 g/mol
• Exact Mass: 510.13
• IUPAC Name: (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
• SMILES: Cc1ccc(-c2cc(C(F)(F)F)ccc2[C@H]2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)cn1
• InChI: InChI=1S/C26H21F3N4O2S/c1-16-3-4-18(15-32-16)24-14-19(26(27,28)29)6-9-23(24)22-8-5-17-13-20(7-10-21(17)22)36(34,35)33-25-30-11-2-12-31-25/h2-4,6-7,9-15,22H,5,8H2,1H3,(H,30,31,33)/t22-/m0/s1
• InChIKey: GBJJCDCEJASLBJ-QFIPXVFZSA-N
• XLogP: 5.74
• TPSA: 84.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.54
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?

The IUPAC name of (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide (CID 142424020) is (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide.

What is the SMILES notation for (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?

The canonical SMILES for (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide is Cc1ccc(-c2cc(C(F)(F)F)ccc2[C@H]2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)cn1.

What is the InChIKey of (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?

The InChIKey is GBJJCDCEJASLBJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H21F3N4O2S/c1-16-3-4-18(15-32-16)24-14-19(26(27,28)29)6-9-23(24)22-8-5-17-13-20(7-10-21(17)22)36(34,35)33-25-30-11-2-12-31-25/h2-4,6-7,9-15,22H,5,8H2,1H3,(H,30,31,33)/t22-/m0/s1.

What are the key properties of (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide?

(1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 510.54 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[2-(6-methyl-3-pyridinyl)-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 142424020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).