3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide

C18H19ClN2O3S — CID 71809517

IUPAC3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19ClN2O3S/c19-15-6-8-16(9-7-15)25(23,24)17-12-21(13-17)18(22)20-11-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,20,22)
InChIKeyKLUWSJOWYCUUGT-UHFFFAOYSA-N
MW378.88 g/mol
LogP2.75
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide

3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide (PubChem CID 71809517) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide
PubChem CID71809517
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H19ClN2O3S/c19-15-6-8-16(9-7-15)25(23,24)17-12-21(13-17)18(22)20-11-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,20,22)
InChIKeyKLUWSJOWYCUUGT-UHFFFAOYSA-N
XLogP2.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide (CID 71809517) is 3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide is O=C(NCCc1ccccc1)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide?
The InChIKey is KLUWSJOWYCUUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-15-6-8-16(9-7-15)25(23,24)17-12-21(13-17)18(22)20-11-10-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide?
3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(2-phenylethyl)azetidine-1-carboxamide is sourced from PubChem (CID 71809517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).