N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide

C12H15ClN2O3S — CID 132968648

IUPACN-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC1
InChIInChI=1S/C12H15ClN2O3S/c13-10-2-4-11(5-3-10)19(17,18)9-6-14-12(16)15-7-1-8-15/h2-5H,1,6-9H2,(H,14,16)
InChIKeyBXWPZLCRODENIA-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.53
Rot. Bonds4

About N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide

N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide (PubChem CID 132968648) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
PubChem CID132968648
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC NameN-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide
SMILESO=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC1
InChIInChI=1S/C12H15ClN2O3S/c13-10-2-4-11(5-3-10)19(17,18)9-6-14-12(16)15-7-1-8-15/h2-5H,1,6-9H2,(H,14,16)
InChIKeyBXWPZLCRODENIA-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)sulfonylethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 75405079
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
(6S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 95137726
N-[2-(benzenesulfonyl)ethyl]-4-methylazepane-1-carboxamide
CID 86864238
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
N-[2-(4-chlorophenyl)sulfonylethyl]but-2-ynamide
CID 166403313
4-[[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]amino]butanoic acid
CID 122021772
N-[2-(4-chlorophenyl)sulfonylethyl]piperidine-4-carboxamide
CID 119290590
N-[2-(4-chlorophenyl)sulfonylethyl]-2-pyrazol-1-ylacetamide
CID 51091918
N-(2-chloroethyl)-3-(4-chlorophenyl)sulfonylazetidine-1-carboxamide
CID 90595114

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide (CID 132968648) is N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide is O=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide?
The InChIKey is BXWPZLCRODENIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c13-10-2-4-11(5-3-10)19(17,18)9-6-14-12(16)15-7-1-8-15/h2-5H,1,6-9H2,(H,14,16).
What are the key properties of N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide?
N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide has a molecular weight of 302.78 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfonylethyl]azetidine-1-carboxamide is sourced from PubChem (CID 132968648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).