[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone

C17H16ClNO3S2 — CID 71809471

IUPAC[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H16ClNO3S2/c1-23-16-5-3-2-4-15(16)17(20)19-10-14(11-19)24(21,22)13-8-6-12(18)7-9-13/h2-9,14H,10-11H2,1H3
InChIKeyRALGYDKGPJILEZ-UHFFFAOYSA-N
MW381.91 g/mol
LogP3.36
Rot. Bonds4

About [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone

[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone (PubChem CID 71809471) has the molecular formula C17H16ClNO3S2 and a molecular weight of 381.91 g/mol. Its IUPAC name is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone
PubChem CID71809471
Molecular FormulaC17H16ClNO3S2
Molecular Weight381.91 g/mol
Exact Mass381.03
IUPAC Name[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone
SMILESCSc1ccccc1C(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H16ClNO3S2/c1-23-16-5-3-2-4-15(16)17(20)19-10-14(11-19)24(21,22)13-8-6-12(18)7-9-13/h2-9,14H,10-11H2,1H3
InChIKeyRALGYDKGPJILEZ-UHFFFAOYSA-N
XLogP3.36
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-Chloro-phenylsulfanylmethyl)-phenyl]-(4-methyl-piperidin-1-yl)-methanone
CID 1153922
N-(5-Chloro-2-ethanesulfonyl-benzyl)-3-trifluoromethyl-benzamide
CID 72195071
1-(4-{[(4-Chlorophenyl)thio]methyl}benzoyl)pyrrolidine
CID 875414
Benzamide, N,N-diethyl-o-(isopropylsulfonyl)-
CID 210038
1-(4-{[(4-Chlorophenyl)thio]methyl}benzoyl)-4-methylpiperazine
CID 2200941
2-chloro-N-(3,4-dihydro-2H-thiochromen-4-yl)-5-methylsulfonylbenzamide
CID 16288818
3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide
CID 25163089
[3-[(2,6-Dichlorophenyl)sulfonylmethyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 44449756
[3-(2-Tert-butylphenyl)sulfonylazetidin-1-yl]-phenylmethanone
CID 59577270
N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 72195074
3-chloro-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 72195075
3-chloro-N-[(5-chloro-2-ethylsulfonylphenyl)methyl]-5-(trifluoromethyl)benzamide
CID 72195209

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The IUPAC name of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone (CID 71809471) is [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone is CSc1ccccc1C(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
The InChIKey is RALGYDKGPJILEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3S2/c1-23-16-5-3-2-4-15(16)17(20)19-10-14(11-19)24(21,22)13-8-6-12(18)7-9-13/h2-9,14H,10-11H2,1H3.
What are the key properties of [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone?
[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone has a molecular weight of 381.91 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)sulfonylazetidin-1-yl]-(2-methylsulfanylphenyl)methanone is sourced from PubChem (CID 71809471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).