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

C24H28F3N3O4S — CID 121427187

IUPACN-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide
SMILESCC(C)CN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc2nn(CC3CCOCC3)cc2c1
InChIInChI=1S/C24H28F3N3O4S/c1-17(2)14-30(20-3-5-21(6-4-20)34-24(25,26)27)35(31,32)22-7-8-23-19(13-22)16-29(28-23)15-18-9-11-33-12-10-18/h3-8,13,16-18H,9-12,14-15H2,1-2H3
InChIKeyAWWLSAOLWMGHLR-UHFFFAOYSA-N
MW511.57 g/mol
LogP5.21
Rot. Bonds8

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

N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide (PubChem CID 121427187) has the molecular formula C24H28F3N3O4S and a molecular weight of 511.57 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide
PubChem CID121427187
Molecular FormulaC24H28F3N3O4S
Molecular Weight511.57 g/mol
Exact Mass511.18
IUPAC NameN-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide
SMILESCC(C)CN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc2nn(CC3CCOCC3)cc2c1
InChIInChI=1S/C24H28F3N3O4S/c1-17(2)14-30(20-3-5-21(6-4-20)34-24(25,26)27)35(31,32)22-7-8-23-19(13-22)16-29(28-23)15-18-9-11-33-12-10-18/h3-8,13,16-18H,9-12,14-15H2,1-2H3
InChIKeyAWWLSAOLWMGHLR-UHFFFAOYSA-N
XLogP5.21
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.57
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide
CID 162575909
N-(2-fluoro-6-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427103
N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427227
N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427115
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90622431
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
4-[amino(oxan-4-ylmethyl)amino]-3-fluoro-N-(2-methylpropyl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 137446210
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(methylsulfonimidoyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 121429520
N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121421719
N-(4-ethylphenyl)-2-(oxan-4-ylmethyl)-N-(oxetan-3-ylmethyl)indazole-5-sulfinamide
CID 145103017
3-(N,S-dimethylsulfinimidoyl)-N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
CID 137445853

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide (CID 121427187) is N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide is CC(C)CN(c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc2nn(CC3CCOCC3)cc2c1.
What is the InChIKey of N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide?
The InChIKey is AWWLSAOLWMGHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4S/c1-17(2)14-30(20-3-5-21(6-4-20)34-24(25,26)27)35(31,32)22-7-8-23-19(13-22)16-29(28-23)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-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide?
N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide has a molecular weight of 511.57 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide is sourced from PubChem (CID 121427187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).