N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide

C11H12Cl2N2O3S — CID 90513205

IUPACN-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C11H12Cl2N2O3S/c1-19(17,18)15-5-7(6-15)11(16)14-10-3-8(12)2-9(13)4-10/h2-4,7H,5-6H2,1H3,(H,14,16)
InChIKeyFMUHWHWIHCOUCV-UHFFFAOYSA-N
MW323.20 g/mol
LogP1.82
Rot. Bonds3

About N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide

N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 90513205) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide
PubChem CID90513205
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC NameN-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)Nc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C11H12Cl2N2O3S/c1-19(17,18)15-5-7(6-15)11(16)14-10-3-8(12)2-9(13)4-10/h2-4,7H,5-6H2,1H3,(H,14,16)
InChIKeyFMUHWHWIHCOUCV-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513146
N-(3,5-dichlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110864208
N-(4-cyanophenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513246
N-(3-methylsulfanylphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513206
(3S)-N-(3,5-dichlorophenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
CID 39035664
1-methylsulfonyl-N-(4-phenoxyphenyl)azetidine-3-carboxamide
CID 90513134
1-methylsulfonyl-N-(4-morpholin-4-ylphenyl)azetidine-3-carboxamide
CID 90513233
N-(3,5-dichlorophenyl)-1-(5-methyl-1,2-oxazole-3-carbonyl)azetidine-3-carboxamide
CID 90511531
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243
(2S)-6-chloro-N-(3,5-dichlorophenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 93490909
(3S)-N-(3-bromo-4-chlorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 146337072
N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513267

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide (CID 90513205) is N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide is CS(=O)(=O)N1CC(C(=O)Nc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is FMUHWHWIHCOUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3S/c1-19(17,18)15-5-7(6-15)11(16)14-10-3-8(12)2-9(13)4-10/h2-4,7H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide?
N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 323.20 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 90513205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).