3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen

C26H38N4O3S — CID 145102971

IUPAC3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(CN4C[C@@H](C)O[C@@H](C)C4)[nH]nc3c2)cc1.[H][H]
InChIInChI=1S/C26H36N4O3S.H2/c1-6-21-7-9-22(10-8-21)30(14-18(2)3)34(31,32)23-11-12-24-25(13-23)27-28-26(24)17-29-15-19(4)33-20(5)16-29;/h7-13,18-20H,6,14-17H2,1-5H3,(H,27,28);1H/t19-,20+;
InChIKeyMVYHNIFVRPLCNJ-AMDBCLDASA-N
MW486.68 g/mol
LogP4.83
Rot. Bonds8

About 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen

3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen (PubChem CID 145102971) has the molecular formula C26H38N4O3S and a molecular weight of 486.68 g/mol. Its IUPAC name is 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen.

Molecular Properties

Compound Name3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen
PubChem CID145102971
Molecular FormulaC26H38N4O3S
Molecular Weight486.68 g/mol
Exact Mass486.27
IUPAC Name3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(CN4C[C@@H](C)O[C@@H](C)C4)[nH]nc3c2)cc1.[H][H]
InChIInChI=1S/C26H36N4O3S.H2/c1-6-21-7-9-22(10-8-21)30(14-18(2)3)34(31,32)23-11-12-24-25(13-23)27-28-26(24)17-29-15-19(4)33-20(5)16-29;/h7-13,18-20H,6,14-17H2,1-5H3,(H,27,28);1H/t19-,20+;
InChIKeyMVYHNIFVRPLCNJ-AMDBCLDASA-N
XLogP4.83
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(morpholin-4-ylmethyl)-2H-indazole-6-sulfonamide
CID 121421659
3-bromo-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-5-sulfonamide
CID 121421626
N-(4-ethylphenyl)-N-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-2,3-dihydroindazole-5-sulfonamide
CID 121421644
N-(4-ethylphenyl)-2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-1-oxo-1,3-benzothiazole-6-sulfonamide
CID 121429420
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 135134029
N-(4-ethylphenyl)-4-[(4-methyloxan-4-yl)methylamino]-N-(2-methylpropyl)-3-nitrobenzenesulfonamide
CID 121414586
(2R)-N-(4-ethylphenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 166628145
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
N-(4-ethylphenyl)-4-hydroxy-N-(2-methylpropyl)-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 142380248
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 121429520
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]benzenesulfonamide
CID 121414176

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen?
The IUPAC name of 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen (CID 145102971) is 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen.
What is the SMILES notation for 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen?
The canonical SMILES for 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen is CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(CN4C[C@@H](C)O[C@@H](C)C4)[nH]nc3c2)cc1.[H][H].
What is the InChIKey of 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen?
The InChIKey is MVYHNIFVRPLCNJ-AMDBCLDASA-N. The full InChI is InChI=1S/C26H36N4O3S.H2/c1-6-21-7-9-22(10-8-21)30(14-18(2)3)34(31,32)23-11-12-24-25(13-23)27-28-26(24)17-29-15-19(4)33-20(5)16-29;/h7-13,18-20H,6,14-17H2,1-5H3,(H,27,28);1H/t19-,20+;.
What are the key properties of 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen?
3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen has a molecular weight of 486.68 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(4-ethylphenyl)-N-(2-methylpropyl)-2H-indazole-6-sulfonamide;molecular hydrogen is sourced from PubChem (CID 145102971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).