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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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-methoxy-2-methylquinolin-4-amine
CID 110435673
1-acetyl-N-(3-chloro-4-fluorophenyl)-5-methoxyindole-3-carboxamide
CID 113212801
3-[3-(3-chloroanilino)-5-methoxyindazol-1-yl]benzaldehyde
CID 25097509
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(2-chloro-6-fluorophenyl)methanone
CID 11134025
9-(benzenesulfonyl)-4-chloro-6-(4-methoxyphenyl)pyrido[2,3-b]indole
CID 46186693
1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine
CID 121238392
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
4-N-(3-chloro-4-fluorophenyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 19153095
[1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol
CID 142660213
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine
CID 69189567
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409

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).