N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide

C23H23ClN6O3S — CID 58504881

IUPACN-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
SMILESO=C(C(CCc1ccccc1Cl)NS(=O)(=O)c1cccc2[nH]ccc12)N1CCn2cnnc2C1
InChIInChI=1S/C23H23ClN6O3S/c24-18-5-2-1-4-16(18)8-9-20(23(31)29-12-13-30-15-26-27-22(30)14-29)28-34(32,33)21-7-3-6-19-17(21)10-11-25-19/h1-7,10-11,15,20,25,28H,8-9,12-14H2
InChIKeyPTYMLZQZCMFMRI-UHFFFAOYSA-N
MW499.00 g/mol
LogP2.73
Rot. Bonds7

About N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide

N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide (PubChem CID 58504881) has the molecular formula C23H23ClN6O3S and a molecular weight of 499.00 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
PubChem CID58504881
Molecular FormulaC23H23ClN6O3S
Molecular Weight499.00 g/mol
Exact Mass498.12
IUPAC NameN-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide
SMILESO=C(C(CCc1ccccc1Cl)NS(=O)(=O)c1cccc2[nH]ccc12)N1CCn2cnnc2C1
InChIInChI=1S/C23H23ClN6O3S/c24-18-5-2-1-4-16(18)8-9-20(23(31)29-12-13-30-15-26-27-22(30)14-29)28-34(32,33)21-7-3-6-19-17(21)10-11-25-19/h1-7,10-11,15,20,25,28H,8-9,12-14H2
InChIKeyPTYMLZQZCMFMRI-UHFFFAOYSA-N
XLogP2.73
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.00
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide (CID 58504881) is N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide is O=C(C(CCc1ccccc1Cl)NS(=O)(=O)c1cccc2[nH]ccc12)N1CCn2cnnc2C1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
The InChIKey is PTYMLZQZCMFMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3S/c24-18-5-2-1-4-16(18)8-9-20(23(31)29-12-13-30-15-26-27-22(30)14-29)28-34(32,33)21-7-3-6-19-17(21)10-11-25-19/h1-7,10-11,15,20,25,28H,8-9,12-14H2.
What are the key properties of N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide?
N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide has a molecular weight of 499.00 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-oxobutan-2-yl]-1H-indole-4-sulfonamide is sourced from PubChem (CID 58504881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).