N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

C15H15F2N3O3S — CID 102559373

IUPACN-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)C2CCc3cn[nH]c3C2)c(F)cc1F
InChIInChI=1S/C15H15F2N3O3S/c1-8-4-14(12(17)6-11(8)16)24(22,23)20-15(21)9-2-3-10-7-18-19-13(10)5-9/h4,6-7,9H,2-3,5H2,1H3,(H,18,19)(H,20,21)
InChIKeyNHVRQIZBIPTDSE-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.61
Rot. Bonds3

About N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (PubChem CID 102559373) has the molecular formula C15H15F2N3O3S and a molecular weight of 355.37 g/mol. Its IUPAC name is N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
PubChem CID102559373
Molecular FormulaC15H15F2N3O3S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC NameN-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESCc1cc(S(=O)(=O)NC(=O)C2CCc3cn[nH]c3C2)c(F)cc1F
InChIInChI=1S/C15H15F2N3O3S/c1-8-4-14(12(17)6-11(8)16)24(22,23)20-15(21)9-2-3-10-7-18-19-13(10)5-9/h4,6-7,9H,2-3,5H2,1H3,(H,18,19)(H,20,21)
InChIKeyNHVRQIZBIPTDSE-UHFFFAOYSA-N
XLogP1.61
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The IUPAC name of N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (CID 102559373) is N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The canonical SMILES for N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is Cc1cc(S(=O)(=O)NC(=O)C2CCc3cn[nH]c3C2)c(F)cc1F.
What is the InChIKey of N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The InChIKey is NHVRQIZBIPTDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3S/c1-8-4-14(12(17)6-11(8)16)24(22,23)20-15(21)9-2-3-10-7-18-19-13(10)5-9/h4,6-7,9H,2-3,5H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-5-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is sourced from PubChem (CID 102559373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).