N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide

C24H32N4O3S — CID 121421659

IUPACN-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(CN4CCOCC4)[nH]nc3c2)cc1
InChIInChI=1S/C24H32N4O3S/c1-4-19-5-7-20(8-6-19)28(16-18(2)3)32(29,30)21-9-10-22-23(15-21)25-26-24(22)17-27-11-13-31-14-12-27/h5-10,15,18H,4,11-14,16-17H2,1-3H3,(H,25,26)
InChIKeyACWJFOHNDHMEHY-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.81
Rot. Bonds8

About N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide

N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide (PubChem CID 121421659) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide
PubChem CID121421659
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(CN4CCOCC4)[nH]nc3c2)cc1
InChIInChI=1S/C24H32N4O3S/c1-4-19-5-7-20(8-6-19)28(16-18(2)3)32(29,30)21-9-10-22-23(15-21)25-26-24(22)17-27-11-13-31-14-12-27/h5-10,15,18H,4,11-14,16-17H2,1-3H3,(H,25,26)
InChIKeyACWJFOHNDHMEHY-UHFFFAOYSA-N
XLogP3.81
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen
CID 145102971
3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide
CID 121421626
(2R)-N-(4-ethylphenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 166628145
N-(4-ethylphenyl)-4-[(4-methyloxan-4-yl)methylamino]-N-(2-methylpropyl)-3-nitrobenzenesulfonamide
CID 121414586
N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide
CID 121421644
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 135134029
2-bromo-5-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]benzoic acid
CID 86731598
N-(4-ethylphenyl)-2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-1-oxo-1,3-benzothiazole-6-sulfonamide
CID 121429420
3-(morpholin-4-ylmethyl)-2H-indazole-5-carbaldehyde
CID 24958742
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]benzenesulfonamide
CID 121414176
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(3-oxabicyclo[3.1.0]hexan-6-ylmethoxy)benzenesulfonamide
CID 121414086
4-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)benzenesulfonamide
CID 121414093

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide (CID 121421659) is N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide is CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(CN4CCOCC4)[nH]nc3c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide?
The InChIKey is ACWJFOHNDHMEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-4-19-5-7-20(8-6-19)28(16-18(2)3)32(29,30)21-9-10-22-23(15-21)25-26-24(22)17-27-11-13-31-14-12-27/h5-10,15,18H,4,11-14,16-17H2,1-3H3,(H,25,26).
What are the key properties of N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide?
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide has a molecular weight of 456.61 g/mol, XLogP of 3.81, 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)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide is sourced from PubChem (CID 121421659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).