1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene

C23H23FN4O4S — CID 66917098

IUPAC1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene
SMILESCc1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1.Cc1ccc(CNS(N)(=O)=O)cc1
InChIInChI=1S/C15H11FN2O2.C8H12N2O2S/c1-9-6-12(15(19)20)13-8-17-18(14(13)7-9)11-4-2-10(16)3-5-11;1-7-2-4-8(5-3-7)6-10-13(9,11)12/h2-8H,1H3,(H,19,20);2-5,10H,6H2,1H3,(H2,9,11,12)
InChIKeyDKGOYUSKXFKKDF-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.46
Rot. Bonds5

About 1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene

1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene (PubChem CID 66917098) has the molecular formula C23H23FN4O4S and a molecular weight of 470.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene
PubChem CID66917098
Molecular FormulaC23H23FN4O4S
Molecular Weight470.53 g/mol
Exact Mass470.14
IUPAC Name1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene
SMILESCc1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1.Cc1ccc(CNS(N)(=O)=O)cc1
InChIInChI=1S/C15H11FN2O2.C8H12N2O2S/c1-9-6-12(15(19)20)13-8-17-18(14(13)7-9)11-4-2-10(16)3-5-11;1-7-2-4-8(5-3-7)6-10-13(9,11)12/h2-8H,1H3,(H,19,20);2-5,10H,6H2,1H3,(H2,9,11,12)
InChIKeyDKGOYUSKXFKKDF-UHFFFAOYSA-N
XLogP3.46
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene?
The IUPAC name of 1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene (CID 66917098) is 1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene.
What is the SMILES notation for 1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene?
The canonical SMILES for 1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene is Cc1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1.Cc1ccc(CNS(N)(=O)=O)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene?
The InChIKey is DKGOYUSKXFKKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2.C8H12N2O2S/c1-9-6-12(15(19)20)13-8-17-18(14(13)7-9)11-4-2-10(16)3-5-11;1-7-2-4-8(5-3-7)6-10-13(9,11)12/h2-8H,1H3,(H,19,20);2-5,10H,6H2,1H3,(H2,9,11,12).
What are the key properties of 1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene?
1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene has a molecular weight of 470.53 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-methylindazole-4-carboxylic acid;1-methyl-4-[(sulfamoylamino)methyl]benzene is sourced from PubChem (CID 66917098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).