N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide

C23H24N4O3S — CID 122623746

IUPACN-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1cnn2Cc1ccccc1
InChIInChI=1S/C23H24N4O3S/c1-4-31(29,30)25-21-11-18(19-10-16(2)23(28)26(3)15-19)12-22-20(21)13-24-27(22)14-17-8-6-5-7-9-17/h5-13,15,25H,4,14H2,1-3H3
InChIKeyGTCDPVRVAVIHAL-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.52
Rot. Bonds6

About N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide

N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide (PubChem CID 122623746) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide
PubChem CID122623746
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1cnn2Cc1ccccc1
InChIInChI=1S/C23H24N4O3S/c1-4-31(29,30)25-21-11-18(19-10-16(2)23(28)26(3)15-19)12-22-20(21)13-24-27(22)14-17-8-6-5-7-9-17/h5-13,15,25H,4,14H2,1-3H3
InChIKeyGTCDPVRVAVIHAL-UHFFFAOYSA-N
XLogP3.52
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide (CID 122623746) is N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cc(C)c(=O)n(C)c2)cc2c1cnn2Cc1ccccc1.
What is the InChIKey of N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide?
The InChIKey is GTCDPVRVAVIHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-4-31(29,30)25-21-11-18(19-10-16(2)23(28)26(3)15-19)12-22-20(21)13-24-27(22)14-17-8-6-5-7-9-17/h5-13,15,25H,4,14H2,1-3H3.
What are the key properties of N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide?
N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)indazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 122623746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).