(6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

C18H15BrFN3O3S — CID 90593027

IUPAC(6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESCn1nc2cc(Br)ccc2c1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H15BrFN3O3S/c1-22-17(15-7-2-11(19)8-16(15)21-22)18(24)23-9-14(10-23)27(25,26)13-5-3-12(20)4-6-13/h2-8,14H,9-10H2,1H3
InChIKeyDWGXXUFSYYBDJL-UHFFFAOYSA-N
MW452.31 g/mol
LogP2.77
Rot. Bonds3

About (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone

(6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (PubChem CID 90593027) has the molecular formula C18H15BrFN3O3S and a molecular weight of 452.31 g/mol. Its IUPAC name is (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
PubChem CID90593027
Molecular FormulaC18H15BrFN3O3S
Molecular Weight452.31 g/mol
Exact Mass451.00
IUPAC Name(6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone
SMILESCn1nc2cc(Br)ccc2c1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H15BrFN3O3S/c1-22-17(15-7-2-11(19)8-16(15)21-22)18(24)23-9-14(10-23)27(25,26)13-5-3-12(20)4-6-13/h2-8,14H,9-10H2,1H3
InChIKeyDWGXXUFSYYBDJL-UHFFFAOYSA-N
XLogP2.77
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-bromo-2-fluorobenzyl)-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 71802696
(3-((4-fluorophenyl)sulfonyl)azetidin-1-yl)(1-methyl-3-phenyl-1H-pyrazol-5-yl)methanone
CID 71809233
2-[4-(6-Bromo-2-methylindazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24937566
2-[4-(6-Bromo-1-methylindazole-3-carbonyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 24937824
(6-Bromo-1-methylindazol-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 24938199
N-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]indazole-3-carboxamide
CID 59606922
(6-Bromo-1-methylindazol-3-yl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 69188471
N-cyclopropyl-N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylpropyl)indazole-3-carboxamide
CID 142792803
2-(cyclobutylmethyl)-6-fluoro-N-(3-methylsulfonylphenyl)indazole-3-carboxamide
CID 171771878
(6-bromo-2-methyl-2H-indazol-3-yl)(4-((4-fluorophenyl)sulfonyl)piperidin-1-yl)methanone
CID 90589675
(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-5-yl)(3-((4-fluorophenyl)sulfonyl)azetidin-1-yl)methanone
CID 90592962
(6-bromo-2-methylindazol-3-yl)-(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 166272761

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The IUPAC name of (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone (CID 90593027) is (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The canonical SMILES for (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is Cn1nc2cc(Br)ccc2c1C(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
The InChIKey is DWGXXUFSYYBDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O3S/c1-22-17(15-7-2-11(19)8-16(15)21-22)18(24)23-9-14(10-23)27(25,26)13-5-3-12(20)4-6-13/h2-8,14H,9-10H2,1H3.
What are the key properties of (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone?
(6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone has a molecular weight of 452.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methylindazol-3-yl)-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]methanone is sourced from PubChem (CID 90593027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).