1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole

C22H21FN2O4S2 — CID 58054527

IUPAC1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole
SMILESCOc1ccc(Cn2nc(CS(=O)(=O)c3ccc(C)s3)c3c(OC)cccc32)cc1F
InChIInChI=1S/C22H21FN2O4S2/c1-14-7-10-21(30-14)31(26,27)13-17-22-18(5-4-6-20(22)29-3)25(24-17)12-15-8-9-19(28-2)16(23)11-15/h4-11H,12-13H2,1-3H3
InChIKeyZANQRQWWJFEEEO-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.58
Rot. Bonds7

About 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole (PubChem CID 58054527) has the molecular formula C22H21FN2O4S2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole
PubChem CID58054527
Molecular FormulaC22H21FN2O4S2
Molecular Weight460.55 g/mol
Exact Mass460.09
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole
SMILESCOc1ccc(Cn2nc(CS(=O)(=O)c3ccc(C)s3)c3c(OC)cccc32)cc1F
InChIInChI=1S/C22H21FN2O4S2/c1-14-7-10-21(30-14)31(26,27)13-17-22-18(5-4-6-20(22)29-3)25(24-17)12-15-8-9-19(28-2)16(23)11-15/h4-11H,12-13H2,1-3H3
InChIKeyZANQRQWWJFEEEO-UHFFFAOYSA-N
XLogP4.58
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[4-methoxy-1-[(2-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
CID 59455973
5-Chloro-N-(4-(methyloxy)-1-{[3-(methyloxy)phenyl]methyl}-1H-indazol-3-yl)-2-thiophenesulfonamide
CID 59455992
5-chloro-N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
CID 59456072
N-(1-benzyl-4-methoxyindazol-3-yl)-5-chlorothiophene-2-sulfonamide
CID 70689680
[3-[[3-[(5-Chlorothiophen-2-yl)sulfonylmethyl]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methanamine
CID 58054371
1-[3-[[3-[(5-Chlorothiophen-2-yl)sulfonylmethyl]-6-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]-4-hydroxy-4-methylpentan-3-one
CID 58054382
1-[3-[[3-[(5-Chlorothiophen-2-yl)sulfonylmethyl]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]-4-hydroxy-4-methylpentan-3-one
CID 58054416
tert-butyl N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]carbamate
CID 58054417
[3-[[3-[(5-Chlorothiophen-2-yl)sulfonylmethyl]-7-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methanamine
CID 58054421
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-5-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 58054434
N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylmethyl]-7-fluoro-4-methoxyindazol-1-yl]methyl]phenyl]methyl]acetamide
CID 58054439
3-[[3-[(5-Chlorothiophen-2-yl)sulfonylmethyl]-7-fluoro-4-methoxyindazol-1-yl]methyl]benzamide
CID 58054455

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole (CID 58054527) is 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole is COc1ccc(Cn2nc(CS(=O)(=O)c3ccc(C)s3)c3c(OC)cccc32)cc1F.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole?
The InChIKey is ZANQRQWWJFEEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S2/c1-14-7-10-21(30-14)31(26,27)13-17-22-18(5-4-6-20(22)29-3)25(24-17)12-15-8-9-19(28-2)16(23)11-15/h4-11H,12-13H2,1-3H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole?
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole has a molecular weight of 460.55 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole is sourced from PubChem (CID 58054527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).