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

C94H104Br4F6N14O8S4 — CID 160837557

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

N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide (PubChem CID 160837557) has the molecular formula C94H104Br4F6N14O8S4 and a molecular weight of 2119.83 g/mol. Its IUPAC name is N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide
• PubChem CID: 160837557
• Molecular Formula: C94H104Br4F6N14O8S4
• Molecular Weight: 2119.83 g/mol
• Exact Mass: 2114.37
• IUPAC Name: N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide
• SMILES: Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C(C)(C)C)c2-c2cc(F)c(F)cc2Br)C2CC2)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C(C)(C)C)c2-c2cc(F)c(F)cc2Br)C2CC2)cn1.Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C(C)(C)C)c2-c2cc(F)ccc2Br)C2CC2)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C(C)(C)C)c2-c2cc(F)ccc2Br)C2CC2)cn1
• InChI: InChI=1S/C24H26BrF2N3O2S.C24H27BrFN3O2S.C23H25BrF2N4O2S.C23H26BrFN4O2S/c1-14-5-9-16(10-6-14)33(31,32)29-22(15-7-8-15)18-13-28-30(24(2,3)4)23(18)17-11-20(26)21(27)12-19(17)25;1-15-5-10-18(11-6-15)32(30,31)28-22(16-7-8-16)20-14-27-29(24(2,3)4)23(20)19-13-17(26)9-12-21(19)25;1-13-5-8-15(11-27-13)33(31,32)29-21(14-6-7-14)17-12-28-30(23(2,3)4)22(17)16-9-19(25)20(26)10-18(16)24;1-14-5-9-17(12-26-14)32(30,31)28-21(15-6-7-15)19-13-27-29(23(2,3)4)22(19)18-11-16(25)8-10-20(18)24/h5-6,9-13,15,22,29H,7-8H2,1-4H3;5-6,9-14,16,22,28H,7-8H2,1-4H3;5,8-12,14,21,29H,6-7H2,1-4H3;5,8-13,15,21,28H,6-7H2,1-4H3/t2*22-;2*21-/m1111/s1
• InChIKey: SHPISOHIRGSKIB-RJOHPXMJSA-N
• XLogP: 22.85
• TPSA: 281.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2119.83
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

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]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide?

The IUPAC name of N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide (CID 160837557) is N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide.

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

The canonical SMILES for N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide is Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C(C)(C)C)c2-c2cc(F)c(F)cc2Br)C2CC2)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C(C)(C)C)c2-c2cc(F)c(F)cc2Br)C2CC2)cn1.Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C(C)(C)C)c2-c2cc(F)ccc2Br)C2CC2)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2cnn(C(C)(C)C)c2-c2cc(F)ccc2Br)C2CC2)cn1.

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

The InChIKey is SHPISOHIRGSKIB-RJOHPXMJSA-N. The full InChI is InChI=1S/C24H26BrF2N3O2S.C24H27BrFN3O2S.C23H25BrF2N4O2S.C23H26BrFN4O2S/c1-14-5-9-16(10-6-14)33(31,32)29-22(15-7-8-15)18-13-28-30(24(2,3)4)23(18)17-11-20(26)21(27)12-19(17)25;1-15-5-10-18(11-6-15)32(30,31)28-22(16-7-8-16)20-14-27-29(24(2,3)4)23(20)19-13-17(26)9-12-21(19)25;1-13-5-8-15(11-27-13)33(31,32)29-21(14-6-7-14)17-12-28-30(23(2,3)4)22(17)16-9-19(25)20(26)10-18(16)24;1-14-5-9-17(12-26-14)32(30,31)28-21(15-6-7-15)19-13-27-29(23(2,3)4)22(19)18-11-16(25)8-10-20(18)24/h5-6,9-13,15,22,29H,7-8H2,1-4H3;5-6,9-14,16,22,28H,7-8H2,1-4H3;5,8-12,14,21,29H,6-7H2,1-4H3;5,8-13,15,21,28H,6-7H2,1-4H3/t2*22-;2*21-/m1111/s1.

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

N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide has a molecular weight of 2119.83 g/mol, XLogP of 22.85, 24 rotatable bonds, 4 hydrogen bond donors, and 18 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]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-4,5-difluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-4-methylbenzenesulfonamide;N-[(R)-[5-(2-bromo-5-fluorophenyl)-1-tert-butylpyrazol-4-yl]-cyclopropylmethyl]-6-methylpyridine-3-sulfonamide is sourced from PubChem (CID 160837557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).