N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride

C46H49Br2ClF6N8O4S2 — CID 157355325

About N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride

N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride (PubChem CID 157355325) has the molecular formula C46H49Br2ClF6N8O4S2 and a molecular weight of 1151.33 g/mol. Its IUPAC name is N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride.

Molecular Properties

• Compound Name: N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride
• PubChem CID: 157355325
• Molecular Formula: C46H49Br2ClF6N8O4S2
• Molecular Weight: 1151.33 g/mol
• Exact Mass: 1148.13
• IUPAC Name: N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride
• SMILES: CC(C)(C)n1ncc([C@H](N)C2CC2)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cc(F)c(F)cc1Br.Cc1ccc(S(=O)(=O)Cl)cn1
• InChI: InChI=1S/C23H22BrF5N4O2S.C17H21BrFN3.C6H6ClNO2S/c1-22(2,3)33-21(14-8-17(25)18(26)9-16(14)24)15(11-31-33)20(12-4-5-12)32-36(34,35)13-6-7-19(30-10-13)23(27,28)29;1-17(2,3)22-16(12-8-11(19)6-7-14(12)18)13(9-21-22)15(20)10-4-5-10;1-5-2-3-6(4-8-5)11(7,9)10/h6-12,20,32H,4-5H2,1-3H3;6-10,15H,4-5,20H2,1-3H3;2-4H,1H3/t20-;15-;/m11./s1
• InChIKey: BHZZTDIBROPRLV-BSSUPZEJSA-N
• XLogP: 12.12
• TPSA: 167.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1151.33
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride?

The IUPAC name of N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride (CID 157355325) is N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride.

What is the SMILES notation for N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride?

The canonical SMILES for N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride is CC(C)(C)n1ncc([C@H](N)C2CC2)c1-c1cc(F)ccc1Br.CC(C)(C)n1ncc([C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)C2CC2)c1-c1cc(F)c(F)cc1Br.Cc1ccc(S(=O)(=O)Cl)cn1.

What is the InChIKey of N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride?

The InChIKey is BHZZTDIBROPRLV-BSSUPZEJSA-N. The full InChI is InChI=1S/C23H22BrF5N4O2S.C17H21BrFN3.C6H6ClNO2S/c1-22(2,3)33-21(14-8-17(25)18(26)9-16(14)24)15(11-31-33)20(12-4-5-12)32-36(34,35)13-6-7-19(30-10-13)23(27,28)29;1-17(2,3)22-16(12-8-11(19)6-7-14(12)18)13(9-21-22)15(20)10-4-5-10;1-5-2-3-6(4-8-5)11(7,9)10/h6-12,20,32H,4-5H2,1-3H3;6-10,15H,4-5,20H2,1-3H3;2-4H,1H3/t20-;15-;/m11./s1.

What are the key properties of N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride?

N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride has a molecular weight of 1151.33 g/mol, XLogP of 12.12, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide;(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethanamine;6-methylpyridine-3-sulfonyl chloride is sourced from PubChem (CID 157355325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).