N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide

C24H30FN3O3S — CID 121427227

IUPACN-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
SMILESCc1ccc(F)cc1N(CC(C)C)S(=O)(=O)c1ccc2nn(CC3CCOCC3)cc2c1
InChIInChI=1S/C24H30FN3O3S/c1-17(2)14-28(24-13-21(25)5-4-18(24)3)32(29,30)22-6-7-23-20(12-22)16-27(26-23)15-19-8-10-31-11-9-19/h4-7,12-13,16-17,19H,8-11,14-15H2,1-3H3
InChIKeyYDRGSKLQGUWPHP-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.76
Rot. Bonds7

About N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide

N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide (PubChem CID 121427227) has the molecular formula C24H30FN3O3S and a molecular weight of 459.59 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
PubChem CID121427227
Molecular FormulaC24H30FN3O3S
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC NameN-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
SMILESCc1ccc(F)cc1N(CC(C)C)S(=O)(=O)c1ccc2nn(CC3CCOCC3)cc2c1
InChIInChI=1S/C24H30FN3O3S/c1-17(2)14-28(24-13-21(25)5-4-18(24)3)32(29,30)22-6-7-23-20(12-22)16-27(26-23)15-19-8-10-31-11-9-19/h4-7,12-13,16-17,19H,8-11,14-15H2,1-3H3
InChIKeyYDRGSKLQGUWPHP-UHFFFAOYSA-N
XLogP4.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-6-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427103
N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[2-(trifluoromethyl)phenyl]indazole-5-sulfonamide
CID 162575909
N-(2-methylpropyl)-2-(oxan-4-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]indazole-5-sulfonamide
CID 121427187
N-(4-ethylphenyl)-N,2-bis(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121427115
N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121421719
N-(4-ethylphenyl)-N-(2-methylpropyl)-3-(oxan-4-ylmethyl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 135134029
N-(4-ethylphenyl)-2-(oxan-4-ylmethyl)-N-(oxetan-3-ylmethyl)indazole-5-sulfinamide
CID 145103017
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
chloromethane;bis(N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide);isocyanomethane
CID 159531527
5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 110875822
3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 71977813

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide (CID 121427227) is N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide is Cc1ccc(F)cc1N(CC(C)C)S(=O)(=O)c1ccc2nn(CC3CCOCC3)cc2c1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide?
The InChIKey is YDRGSKLQGUWPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3S/c1-17(2)14-28(24-13-21(25)5-4-18(24)3)32(29,30)22-6-7-23-20(12-22)16-27(26-23)15-19-8-10-31-11-9-19/h4-7,12-13,16-17,19H,8-11,14-15H2,1-3H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide?
N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide has a molecular weight of 459.59 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)indazole-5-sulfonamide is sourced from PubChem (CID 121427227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).