N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide

C34H34FN3O2S — CID 67199688

About N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide

N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide (PubChem CID 67199688) has the molecular formula C34H34FN3O2S and a molecular weight of 567.73 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide
• PubChem CID: 67199688
• Molecular Formula: C34H34FN3O2S
• Molecular Weight: 567.73 g/mol
• Exact Mass: 567.24
• IUPAC Name: N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide
• SMILES: C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CN(CC1CC1)S(=O)(=O)c1ccc(-c3ccccc3)cc1)CC2
• InChI: InChI=1S/C34H34FN3O2S/c1-23-32-20-36-38(30-15-13-29(35)14-16-30)33(32)19-27-9-10-28(34(23)27)22-37(21-24-7-8-24)41(39,40)31-17-11-26(12-18-31)25-5-3-2-4-6-25/h2-6,11-20,23-24,28,36H,7-10,21-22H2,1H3/t23-,28+/m0/s1
• InChIKey: GMIQBEGVGWGIMQ-NEKDWFFYSA-N
• XLogP: 7.04
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.73
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide?

The IUPAC name of N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide (CID 67199688) is N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide.

What is the SMILES notation for N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide?

The canonical SMILES for N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide is C[C@H]1C2=CNN(c3ccc(F)cc3)C2=CC2=C1[C@@H](CN(CC1CC1)S(=O)(=O)c1ccc(-c3ccccc3)cc1)CC2.

What is the InChIKey of N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide?

The InChIKey is GMIQBEGVGWGIMQ-NEKDWFFYSA-N. The full InChI is InChI=1S/C34H34FN3O2S/c1-23-32-20-36-38(30-15-13-29(35)14-16-30)33(32)19-27-9-10-28(34(23)27)22-37(21-24-7-8-24)41(39,40)31-17-11-26(12-18-31)25-5-3-2-4-6-25/h2-6,11-20,23-24,28,36H,7-10,21-22H2,1H3/t23-,28+/m0/s1.

What are the key properties of N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide?

N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide has a molecular weight of 567.73 g/mol, XLogP of 7.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 67199688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).