N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide

C21H23N3O4S — CID 171772052

IUPACN-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2c3ccccc3nn2CC2CCOCC2)c1
InChIInChI=1S/C21H23N3O4S/c1-29(26,27)17-6-4-5-16(13-17)22-21(25)20-18-7-2-3-8-19(18)23-24(20)14-15-9-11-28-12-10-15/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)
InChIKeyIKLJCNYMQSVIHF-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.12
Rot. Bonds5

About N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide

N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide (PubChem CID 171772052) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide
PubChem CID171772052
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2c3ccccc3nn2CC2CCOCC2)c1
InChIInChI=1S/C21H23N3O4S/c1-29(26,27)17-6-4-5-16(13-17)22-21(25)20-18-7-2-3-8-19(18)23-24(20)14-15-9-11-28-12-10-15/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)
InChIKeyIKLJCNYMQSVIHF-UHFFFAOYSA-N
XLogP3.12
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-2-(oxan-4-ylmethyl)-N-(3-sulfamoylphenyl)indazole-3-carboxamide
CID 171771986
N-(3-methylsulfonylphenyl)-1-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167239510
1-[(4,4-difluorocyclohexyl)methyl]-3-methyl-N-(3-methylsulfonylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528600
2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide
CID 171772015
1-(cyclohexylmethyl)-3-methyl-N-(3-sulfamoylphenyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 167334327
4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide
CID 166528439
N-(3-carbamoylphenyl)-2-(cyclopentylmethyl)-6-fluoroindazole-3-carboxamide
CID 171771928
4-[[5-cyclopropyl-4-methyl-2-(oxan-4-ylmethyl)pyrazole-3-carbonyl]amino]-N-methylpyridine-2-carboxamide;ethane
CID 166528438
3-methyl-N-[3-[methyl(dimethylidene)-λ6-sulfanyl]phenyl]-1-(oxetan-2-ylmethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 166528395
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
N-(3-methylsulfonylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 17445154
N-(3-aminosulfanylphenyl)-1-[(4,4-difluorocyclohexyl)methyl]-4-(difluoromethyl)-3-methylpyrazole-5-carboxamide
CID 166528879

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide (CID 171772052) is N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2c3ccccc3nn2CC2CCOCC2)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide?
The InChIKey is IKLJCNYMQSVIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-29(26,27)17-6-4-5-16(13-17)22-21(25)20-18-7-2-3-8-19(18)23-24(20)14-15-9-11-28-12-10-15/h2-8,13,15H,9-12,14H2,1H3,(H,22,25).
What are the key properties of N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide?
N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-2-(oxan-4-ylmethyl)indazole-3-carboxamide is sourced from PubChem (CID 171772052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).