1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine

C20H15ClFN3O3S — CID 69189190

IUPAC1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine
SMILESCOc1ccc2c(c1)c(Nc1ccc(F)c(Cl)c1)nn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15ClFN3O3S/c1-28-14-8-10-19-16(12-14)20(23-13-7-9-18(22)17(21)11-13)24-25(19)29(26,27)15-5-3-2-4-6-15/h2-12H,1H3,(H,23,24)
InChIKeyMPHWEFVRZMDDGA-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.82
Rot. Bonds5

About 1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine

1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine (PubChem CID 69189190) has the molecular formula C20H15ClFN3O3S and a molecular weight of 431.88 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine
PubChem CID69189190
Molecular FormulaC20H15ClFN3O3S
Molecular Weight431.88 g/mol
Exact Mass431.05
IUPAC Name1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine
SMILESCOc1ccc2c(c1)c(Nc1ccc(F)c(Cl)c1)nn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15ClFN3O3S/c1-28-14-8-10-19-16(12-14)20(23-13-7-9-18(22)17(21)11-13)24-25(19)29(26,27)15-5-3-2-4-6-15/h2-12H,1H3,(H,23,24)
InChIKeyMPHWEFVRZMDDGA-UHFFFAOYSA-N
XLogP4.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine?
The IUPAC name of 1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine (CID 69189190) is 1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine is COc1ccc2c(c1)c(Nc1ccc(F)c(Cl)c1)nn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine?
The InChIKey is MPHWEFVRZMDDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3S/c1-28-14-8-10-19-16(12-14)20(23-13-7-9-18(22)17(21)11-13)24-25(19)29(26,27)15-5-3-2-4-6-15/h2-12H,1H3,(H,23,24).
What are the key properties of 1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine?
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine has a molecular weight of 431.88 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine is sourced from PubChem (CID 69189190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).