N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide

C25H30N4O2S — CID 121421644

IUPACN-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)CNN3Cc2ccncc2)cc1
InChIInChI=1S/C25H30N4O2S/c1-4-20-5-7-23(8-6-20)29(17-19(2)3)32(30,31)24-9-10-25-22(15-24)16-27-28(25)18-21-11-13-26-14-12-21/h5-15,19,27H,4,16-18H2,1-3H3
InChIKeyILBQUJLLIDZRML-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.52
Rot. Bonds8

About N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide

N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide (PubChem CID 121421644) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide
PubChem CID121421644
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)CNN3Cc2ccncc2)cc1
InChIInChI=1S/C25H30N4O2S/c1-4-20-5-7-23(8-6-20)29(17-19(2)3)32(30,31)24-9-10-25-22(15-24)16-27-28(25)18-21-11-13-26-14-12-21/h5-15,19,27H,4,16-18H2,1-3H3
InChIKeyILBQUJLLIDZRML-UHFFFAOYSA-N
XLogP4.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(pyridin-4-ylmethoxy)benzenesulfonamide
CID 121414161
3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide
CID 121421626
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide
CID 121421659
4-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)benzenesulfonamide
CID 121414093
2-bromo-5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]benzoic acid
CID 86731598
[5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-2-fluorophenyl] carbamate
CID 174868031
N-(4-ethylphenyl)-N-(2-methylpropyl)-4-oxo-1-[(3-oxocyclopentyl)methyl]-2,3-dihydroquinoline-6-sulfonamide
CID 149438987
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(pyrimidin-4-ylmethylamino)benzenesulfonamide
CID 121414152
N-(4-ethylphenyl)-4-hydroxy-1-[(3-hydroxycyclobutyl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 121420902
3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen
CID 145102971
N-(4-ethylphenyl)-2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-1-oxo-1,3-benzothiazole-6-sulfonamide
CID 121429420
N-ethyl-N-pyridin-4-yl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422496

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide (CID 121421644) is N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide is CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)CNN3Cc2ccncc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide?
The InChIKey is ILBQUJLLIDZRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-4-20-5-7-23(8-6-20)29(17-19(2)3)32(30,31)24-9-10-25-22(15-24)16-27-28(25)18-21-11-13-26-14-12-21/h5-15,19,27H,4,16-18H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide?
N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide has a molecular weight of 450.61 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide is sourced from PubChem (CID 121421644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).