N-(azetidin-3-yl)-4-chlorobenzenesulfonamide

C9H11ClN2O2S — CID 66187951

IUPACN-(azetidin-3-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CNC1)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2S/c10-7-1-3-9(4-2-7)15(13,14)12-8-5-11-6-8/h1-4,8,11-12H,5-6H2
InChIKeyPBQUPLISIKRTKC-UHFFFAOYSA-N
MW246.72 g/mol
LogP0.59
Rot. Bonds3

About N-(azetidin-3-yl)-4-chlorobenzenesulfonamide

N-(azetidin-3-yl)-4-chlorobenzenesulfonamide (PubChem CID 66187951) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-chlorobenzenesulfonamide
PubChem CID66187951
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC NameN-(azetidin-3-yl)-4-chlorobenzenesulfonamide
SMILESO=S(=O)(NC1CNC1)c1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O2S/c10-7-1-3-9(4-2-7)15(13,14)12-8-5-11-6-8/h1-4,8,11-12H,5-6H2
InChIKeyPBQUPLISIKRTKC-UHFFFAOYSA-N
XLogP0.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chlorobenzenesulfonamide
CID 61232934
4-chloro-N-[(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
CID 11859488
4-chloro-N-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564803
4-chloro-N-(2-piperazin-1-ylcyclohexyl)benzenesulfonamide
CID 3148616
(3S,5S)-N-[2-(4-chlorophenyl)-2-phenylethyl]-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
CID 91244776
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
4-(4-chlorophenoxy)-N-(oxan-4-yl)benzenesulfonamide
CID 141068088
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 60605262
N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 66186086

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-4-chlorobenzenesulfonamide (CID 66187951) is N-(azetidin-3-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-4-chlorobenzenesulfonamide is O=S(=O)(NC1CNC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(azetidin-3-yl)-4-chlorobenzenesulfonamide?
The InChIKey is PBQUPLISIKRTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c10-7-1-3-9(4-2-7)15(13,14)12-8-5-11-6-8/h1-4,8,11-12H,5-6H2.
What are the key properties of N-(azetidin-3-yl)-4-chlorobenzenesulfonamide?
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide has a molecular weight of 246.72 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 66187951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).