azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone

C22H19ClN2O4S — CID 158268720

IUPACazetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone
SMILESO=C(c1cc(Cl)c(O)c(S(=O)(=O)Cc2cc(-c3ccccc3)ccn2)c1)N1CCC1
InChIInChI=1S/C22H19ClN2O4S/c23-19-12-17(22(27)25-9-4-10-25)13-20(21(19)26)30(28,29)14-18-11-16(7-8-24-18)15-5-2-1-3-6-15/h1-3,5-8,11-13,26H,4,9-10,14H2
InChIKeyGITQNIHIADMIBH-UHFFFAOYSA-N
MW442.92 g/mol
LogP3.93
Rot. Bonds5

About azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone

azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone (PubChem CID 158268720) has the molecular formula C22H19ClN2O4S and a molecular weight of 442.92 g/mol. Its IUPAC name is azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone
PubChem CID158268720
Molecular FormulaC22H19ClN2O4S
Molecular Weight442.92 g/mol
Exact Mass442.08
IUPAC Nameazetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone
SMILESO=C(c1cc(Cl)c(O)c(S(=O)(=O)Cc2cc(-c3ccccc3)ccn2)c1)N1CCC1
InChIInChI=1S/C22H19ClN2O4S/c23-19-12-17(22(27)25-9-4-10-25)13-20(21(19)26)30(28,29)14-18-11-16(7-8-24-18)15-5-2-1-3-6-15/h1-3,5-8,11-13,26H,4,9-10,14H2
InChIKeyGITQNIHIADMIBH-UHFFFAOYSA-N
XLogP3.93
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]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

3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 146545871
[3-chloro-5-[(2-fluoro-5-phenylphenyl)methylsulfonyl]-4-hydroxyphenyl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone
CID 159352050
azetidin-1-yl-[3-chloro-5-[(5-cyclopropyl-2,4-difluorophenyl)methylsulfonyl]-4-hydroxyphenyl]methanone
CID 159265145
[4-(azetidine-1-carbonyl)-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenyl] 2,2-dimethylpropanoate
CID 159695185
2-[4-(azetidine-1-carbonyl)-2-chloro-6-[(2,4-difluoro-5-phenylphenyl)methylsulfonyl]phenoxy]acetic acid
CID 159486905
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
(3,4-dichlorophenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543920
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
2-chloro-6-[(2-methoxy-5-phenylphenyl)methylsulfonyl]-4-(1,3-oxazol-2-yl)phenol
CID 153492290
(3-chloro-4-hydroxy-5-methoxyphenyl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 167852788
(4-benzyl-1,4-diazepan-1-yl)-(3,4-dichlorophenyl)methanone
CID 23969197
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420

Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone?
The IUPAC name of azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone (CID 158268720) is azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone?
The canonical SMILES for azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone is O=C(c1cc(Cl)c(O)c(S(=O)(=O)Cc2cc(-c3ccccc3)ccn2)c1)N1CCC1.
What is the InChIKey of azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone?
The InChIKey is GITQNIHIADMIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4S/c23-19-12-17(22(27)25-9-4-10-25)13-20(21(19)26)30(28,29)14-18-11-16(7-8-24-18)15-5-2-1-3-6-15/h1-3,5-8,11-13,26H,4,9-10,14H2.
What are the key properties of azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone?
azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone has a molecular weight of 442.92 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-chloro-4-hydroxy-5-[(4-phenyl-2-pyridinyl)methylsulfonyl]phenyl]methanone is sourced from PubChem (CID 158268720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).