1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide

C21H17N3O3S — CID 56659697

IUPAC1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C21H17N3O3S/c1-15-11-13-17(14-12-15)28(26,27)24-19-10-6-5-9-18(19)20(23-24)21(25)22-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,25)
InChIKeyFPRQLJWUDYLUAT-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.83
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide

1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide (PubChem CID 56659697) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide
PubChem CID56659697
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide
SMILESCc1ccc(S(=O)(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C21H17N3O3S/c1-15-11-13-17(14-12-15)28(26,27)24-19-10-6-5-9-18(19)20(23-24)21(25)22-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,25)
InChIKeyFPRQLJWUDYLUAT-UHFFFAOYSA-N
XLogP3.83
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide (CID 56659697) is 1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide is Cc1ccc(S(=O)(=O)n2nc(C(=O)Nc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide?
The InChIKey is FPRQLJWUDYLUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-15-11-13-17(14-12-15)28(26,27)24-19-10-6-5-9-18(19)20(23-24)21(25)22-16-7-3-2-4-8-16/h2-14H,1H3,(H,22,25).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide?
1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-phenylindazole-3-carboxamide is sourced from PubChem (CID 56659697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).