N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide

C24H28F3N3O3S — CID 162575909

IUPACN-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide
SMILESCC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2nn(CC3CCOCC3)cc2c1
InChIInChI=1S/C24H28F3N3O3S/c1-17(2)14-30(23-6-4-3-5-21(23)24(25,26)27)34(31,32)20-7-8-22-19(13-20)16-29(28-22)15-18-9-11-33-12-10-18/h3-8,13,16-18H,9-12,14-15H2,1-2H3
InChIKeyJPGFYLJFBABWAZ-UHFFFAOYSA-N
MW495.57 g/mol
LogP5.33
Rot. Bonds7

About N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide

N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide (PubChem CID 162575909) has the molecular formula C24H28F3N3O3S and a molecular weight of 495.57 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide
PubChem CID162575909
Molecular FormulaC24H28F3N3O3S
Molecular Weight495.57 g/mol
Exact Mass495.18
IUPAC NameN-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide
SMILESCC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2nn(CC3CCOCC3)cc2c1
InChIInChI=1S/C24H28F3N3O3S/c1-17(2)14-30(23-6-4-3-5-21(23)24(25,26)27)34(31,32)20-7-8-22-19(13-20)16-29(28-22)15-18-9-11-33-12-10-18/h3-8,13,16-18H,9-12,14-15H2,1-2H3
InChIKeyJPGFYLJFBABWAZ-UHFFFAOYSA-N
XLogP5.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.57
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427227
N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide
CID 121427187
N-(2-fluoro-6-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427103
N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427115
4-bromo-N-(2-methylpropyl)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 86722206
N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121421719
4-[amino(oxan-4-ylmethyl)amino]-3-fluoro-N-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 137446210
N-(2-fluorophenyl)-N-(2-methylpropyl)-2-(oxan-4-yl)-4-oxo-2,3-dihydrochromene-6-sulfonamide
CID 151534902
N-(4-ethylphenyl)-2-(oxan-4-ylmethyl)-N-(oxetan-3-ylmethyl)indazole-5-sulfinamide
CID 145103017
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 135134029
N-(4-ethylphenyl)-2,2-dimethyl-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-1-oxo-1,3-benzothiazole-6-sulfonamide
CID 121429420
tert-butyl N-[8-[3-(4-bromophenyl)-2-[[2-(cyclopentylmethyl)indazol-5-yl]sulfonyl-methylamino]-3,3-difluoropropanoyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 142387452

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide (CID 162575909) is N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide is CC(C)CN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2nn(CC3CCOCC3)cc2c1.
What is the InChIKey of N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide?
The InChIKey is JPGFYLJFBABWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3S/c1-17(2)14-30(23-6-4-3-5-21(23)24(25,26)27)34(31,32)20-7-8-22-19(13-20)16-29(28-22)15-18-9-11-33-12-10-18/h3-8,13,16-18H,9-12,14-15H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide?
N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide has a molecular weight of 495.57 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide is sourced from PubChem (CID 162575909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).