N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide

C20H16FN3O3S — CID 142740199

IUPACN-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H16FN3O3S/c1-27-18-7-9-19(10-8-18)28(25,26)23-16-4-11-20-14(12-16)13-22-24(20)17-5-2-15(21)3-6-17/h2-13,23H,1H3
InChIKeyXFLUKVFWXSDLJD-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.97
Rot. Bonds5

About N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide

N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide (PubChem CID 142740199) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide
PubChem CID142740199
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC NameN-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H16FN3O3S/c1-27-18-7-9-19(10-8-18)28(25,26)23-16-4-11-20-14(12-16)13-22-24(20)17-5-2-15(21)3-6-17/h2-13,23H,1H3
InChIKeyXFLUKVFWXSDLJD-UHFFFAOYSA-N
XLogP3.97
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide (CID 142740199) is N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide?
The InChIKey is XFLUKVFWXSDLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-27-18-7-9-19(10-8-18)28(25,26)23-16-4-11-20-14(12-16)13-22-24(20)17-5-2-15(21)3-6-17/h2-13,23H,1H3.
What are the key properties of N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide?
N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide has a molecular weight of 397.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)indazol-5-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 142740199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).