N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide

C19H20FN3O3S — CID 153000200

IUPACN-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(C(C)=O)cc1F)c1ccc2cnn(C)c2c1
InChIInChI=1S/C19H20FN3O3S/c1-4-27(25,26)23(12-16-6-5-14(13(2)24)9-18(16)20)17-8-7-15-11-21-22(3)19(15)10-17/h5-11H,4,12H2,1-3H3
InChIKeyUXZYZEDZVUISRP-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.27
Rot. Bonds6

About N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide

N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide (PubChem CID 153000200) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
PubChem CID153000200
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(C(C)=O)cc1F)c1ccc2cnn(C)c2c1
InChIInChI=1S/C19H20FN3O3S/c1-4-27(25,26)23(12-16-6-5-14(13(2)24)9-18(16)20)17-8-7-15-11-21-22(3)19(15)10-17/h5-11H,4,12H2,1-3H3
InChIKeyUXZYZEDZVUISRP-UHFFFAOYSA-N
XLogP3.27
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropylsulfonyl-5-fluoro-1-methyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
CID 155520010
5-fluoro-1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
CID 155522007
1-methyl-N-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]indazole-6-carboxamide
CID 155536189
US10807982, Example 106
CID 122623562
US10807982, Example 43
CID 126600960
US10807982, Example 42
CID 122623746
(2R)-2-(1-ethyl-4-fluoroindazol-6-yl)-1,2-diphenylethanone
CID 162405258
(5-Fluoro-2-indazol-1-ylphenyl)-(4-methylphenyl)methanone
CID 176436099
1-(2-Fluoro-4-((1-(hydroxymethyl)-1h-indazol-6-yl)amino)phenyl)ethan-1-one
CID 177694231
1-(2-Fluoro-5-((1-(hydroxymethyl)-1h-indazol-6-yl)amino)phenyl)ethan-1-one
CID 177694232
(2,4-Difluorophenyl)-[1-(2,2,2-trifluoroethyl)indazol-5-yl]methanone
CID 9819298
N-cyclopropyl-3-fluoro-4-methyl-5-(1-propylsulfonylindazol-5-yl)benzamide
CID 10001901

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
The IUPAC name of N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide (CID 153000200) is N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide.
What is the SMILES notation for N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
The canonical SMILES for N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide is CCS(=O)(=O)N(Cc1ccc(C(C)=O)cc1F)c1ccc2cnn(C)c2c1.
What is the InChIKey of N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
The InChIKey is UXZYZEDZVUISRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-4-27(25,26)23(12-16-6-5-14(13(2)24)9-18(16)20)17-8-7-15-11-21-22(3)19(15)10-17/h5-11H,4,12H2,1-3H3.
What are the key properties of N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetyl-2-fluorophenyl)methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide is sourced from PubChem (CID 153000200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).