N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide

C27H34ClN5O4S2 — CID 68906250

About N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide

N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide (PubChem CID 68906250) has the molecular formula C27H34ClN5O4S2 and a molecular weight of 592.19 g/mol. Its IUPAC name is N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide
• PubChem CID: 68906250
• Molecular Formula: C27H34ClN5O4S2
• Molecular Weight: 592.19 g/mol
• Exact Mass: 591.17
• IUPAC Name: N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide
• SMILES: CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(CNS(=O)(=O)c4ccccc4)c3)nn2CCCN2CCCC2)C1
• InChI: InChI=1S/C27H34ClN5O4S2/c1-38(34,35)32-17-12-26-24(20-32)27(30-33(26)16-7-15-31-13-5-6-14-31)21-10-11-25(28)22(18-21)19-29-39(36,37)23-8-3-2-4-9-23/h2-4,8-11,18,29H,5-7,12-17,19-20H2,1H3
• InChIKey: IPLSOLPWDZLKBU-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 104.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.19
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide?

The IUPAC name of N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide (CID 68906250) is N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide.

What is the SMILES notation for N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide?

The canonical SMILES for N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide is CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(CNS(=O)(=O)c4ccccc4)c3)nn2CCCN2CCCC2)C1.

What is the InChIKey of N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide?

The InChIKey is IPLSOLPWDZLKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN5O4S2/c1-38(34,35)32-17-12-26-24(20-32)27(30-33(26)16-7-15-31-13-5-6-14-31)21-10-11-25(28)22(18-21)19-29-39(36,37)23-8-3-2-4-9-23/h2-4,8-11,18,29H,5-7,12-17,19-20H2,1H3.

What are the key properties of N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide?

N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide has a molecular weight of 592.19 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-chloro-5-[5-methylsulfonyl-1-(3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 68906250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).