2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide

C12H17ClN2O2S — CID 43635604

IUPAC2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H17ClN2O2S/c13-11-3-1-9(2-4-11)10-7-12(8-10)15-5-6-18(14,16)17/h1-4,10,12,15H,5-8H2,(H2,14,16,17)
InChIKeyHQISRLMXDZEIDM-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.46
Rot. Bonds5

About 2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide

2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide (PubChem CID 43635604) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
PubChem CID43635604
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H17ClN2O2S/c13-11-3-1-9(2-4-11)10-7-12(8-10)15-5-6-18(14,16)17/h1-4,10,12,15H,5-8H2,(H2,14,16,17)
InChIKeyHQISRLMXDZEIDM-UHFFFAOYSA-N
XLogP1.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]cyclobutan-1-amine
CID 43634135
3-(4-chlorophenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclobutan-1-amine
CID 63332450
2-[[3-(4-chlorophenyl)cyclobutyl]amino]acetic acid
CID 43635160
3-(4-chlorophenyl)-N-(2-ethoxyethyl)cyclobutan-1-amine
CID 43635778
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
3-(4-chlorophenyl)-N-[(E)-pent-3-enyl]cyclobutan-1-amine
CID 104530229
3-(4-chlorophenyl)-N-(3-phenylpropyl)cyclobutan-1-amine
CID 43634161
3-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)cyclobutan-1-amine
CID 104530475
3-(4-chlorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634782
3-(4-chlorophenyl)-N-(3-ethenoxypropyl)cyclobutan-1-amine
CID 43634769
N-methyl-2-[(3-phenylcyclobutyl)amino]ethanesulfonamide
CID 102676035
2-(4-chloroanilino)ethanesulfonamide
CID 114384668

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide (CID 43635604) is 2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide is NS(=O)(=O)CCNC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide?
The InChIKey is HQISRLMXDZEIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c13-11-3-1-9(2-4-11)10-7-12(8-10)15-5-6-18(14,16)17/h1-4,10,12,15H,5-8H2,(H2,14,16,17).
What are the key properties of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide?
2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)cyclobutyl]amino]ethanesulfonamide is sourced from PubChem (CID 43635604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).