4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole

C17H19FN4O3S — CID 136901416

IUPAC4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)N(C)C)c2cn[nH]c2c1
InChIInChI=1S/C17H19FN4O3S/c1-4-10-7-17(23)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-26(24,25)22(2)3/h5-9,21,23H,4H2,1-3H3,(H,19,20)
InChIKeyQHSGPVFWACSQCJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.86
Rot. Bonds5

About 4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole

4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole (PubChem CID 136901416) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
PubChem CID136901416
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole
SMILESCCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)N(C)C)c2cn[nH]c2c1
InChIInChI=1S/C17H19FN4O3S/c1-4-10-7-17(23)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-26(24,25)22(2)3/h5-9,21,23H,4H2,1-3H3,(H,19,20)
InChIKeyQHSGPVFWACSQCJ-UHFFFAOYSA-N
XLogP2.86
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540191
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155540484
4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
CID 155540488
methyl 3-[[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]sulfamoyl]propanoate
CID 155540621
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]propane-2-sulfonamide
CID 155541077
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]cyclopentanesulfonamide
CID 155542401
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-1,1,1-trifluoromethanesulfonamide
CID 155542961
N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]methanesulfonamide
CID 155544706
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]pyridine-2-sulfonamide
CID 155545114
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-piperidin-1-ylethanesulfonamide
CID 155545338
N-[6-(4-hydroxyphenyl)-1H-indazol-4-yl]ethanesulfonamide
CID 155546232
N-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-4-yl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 155547921

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole?
The IUPAC name of 4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole (CID 136901416) is 4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole?
The canonical SMILES for 4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole is CCc1cc(O)c(F)cc1-c1cc(NS(=O)(=O)N(C)C)c2cn[nH]c2c1.
What is the InChIKey of 4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole?
The InChIKey is QHSGPVFWACSQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-4-10-7-17(23)14(18)8-12(10)11-5-15-13(9-19-20-15)16(6-11)21-26(24,25)22(2)3/h5-9,21,23H,4H2,1-3H3,(H,19,20).
What are the key properties of 4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole?
4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole has a molecular weight of 378.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazole is sourced from PubChem (CID 136901416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).