1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide

C26H25N3O3S — CID 59606884

IUPAC1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccc4c(c3)CCCC4)c3ccccc32)cc1
InChIInChI=1S/C26H25N3O3S/c1-33(31,32)22-14-10-18(11-15-22)17-29-24-9-5-4-8-23(24)25(28-29)26(30)27-21-13-12-19-6-2-3-7-20(19)16-21/h4-5,8-16H,2-3,6-7,17H2,1H3,(H,27,30)
InChIKeyJIZQDGZOBUPVAE-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.62
Rot. Bonds5

About 1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide

1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide (PubChem CID 59606884) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide
PubChem CID59606884
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccc4c(c3)CCCC4)c3ccccc32)cc1
InChIInChI=1S/C26H25N3O3S/c1-33(31,32)22-14-10-18(11-15-22)17-29-24-9-5-4-8-23(24)25(28-29)26(30)27-21-13-12-19-6-2-3-7-20(19)16-21/h4-5,8-16H,2-3,6-7,17H2,1H3,(H,27,30)
InChIKeyJIZQDGZOBUPVAE-UHFFFAOYSA-N
XLogP4.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methylsulfonylphenyl)methyl]-N-(4-methyl-1,3-thiazol-2-yl)indazole-3-carboxamide
CID 59606928
4-methylsulfonyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 141069790
1-[(4-chlorophenyl)methyl]-N-pyrimidin-5-ylindazole-3-carboxamide
CID 166984841
N-[(3-acetamidophenyl)methyl]-1-[(4-chlorophenyl)methyl]indazole-3-carboxamide
CID 166984855
3-benzyl-N-(2-methyl-5-methylsulfonylphenyl)-4-oxophthalazine-1-carboxamide
CID 27990833
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)indazole-3-carboxamide
CID 11704695
1-[(4-fluorophenyl)methyl]-N-(3-methylphenyl)sulfonylindazole-3-carboxamide
CID 166984921
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-[4-(2-methylsulfonylphenyl)phenyl]indazole-3-carboxamide
CID 11365330
1-[(3,4-dichlorophenyl)methyl]-N-(4-nitrophenyl)sulfonylindazole-3-carboxamide
CID 175040525
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-oxocinnolin-1-yl)propanamide
CID 18097807
1-benzylindazole-3-carboxylate
CID 22239042
5-amino-N-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazole-4-carboxamide
CID 166960660

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide?
The IUPAC name of 1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide (CID 59606884) is 1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide?
The canonical SMILES for 1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide is CS(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccc4c(c3)CCCC4)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide?
The InChIKey is JIZQDGZOBUPVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-33(31,32)22-14-10-18(11-15-22)17-29-24-9-5-4-8-23(24)25(28-29)26(30)27-21-13-12-19-6-2-3-7-20(19)16-21/h4-5,8-16H,2-3,6-7,17H2,1H3,(H,27,30).
What are the key properties of 1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide?
1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfonylphenyl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)indazole-3-carboxamide is sourced from PubChem (CID 59606884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).