N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide

C10H12Cl2N2O2S — CID 122150367

IUPACN-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)NC1CNC1
InChIInChI=1S/C10H12Cl2N2O2S/c11-9-2-1-3-10(12)8(9)6-17(15,16)14-7-4-13-5-7/h1-3,7,13-14H,4-6H2
InChIKeyLXDKJZZWFOEAIO-UHFFFAOYSA-N
MW295.19 g/mol
LogP1.38
Rot. Bonds4

About N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide

N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide (PubChem CID 122150367) has the molecular formula C10H12Cl2N2O2S and a molecular weight of 295.19 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide
PubChem CID122150367
Molecular FormulaC10H12Cl2N2O2S
Molecular Weight295.19 g/mol
Exact Mass294.00
IUPAC NameN-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1c(Cl)cccc1Cl)NC1CNC1
InChIInChI=1S/C10H12Cl2N2O2S/c11-9-2-1-3-10(12)8(9)6-17(15,16)14-7-4-13-5-7/h1-3,7,13-14H,4-6H2
InChIKeyLXDKJZZWFOEAIO-UHFFFAOYSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 119986380
N-(azetidin-3-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 66185393
1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978998
1-(2,6-dichlorophenyl)-N-[2-(methylamino)ethyl]methanesulfonamide
CID 119973248
3-[(2,6-dichlorophenyl)methyl]azetidine
CID 16780191
N-(2-amino-1-cyclopropylethyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 119986929
1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27245579
2-(azetidin-3-ylsulfamoyl)acetic acid
CID 66188177
N-(4-aminobutyl)-1-(2,6-dichlorophenyl)methanesulfonamide
CID 120583362
N-(3-aminopropyl)-1-(2,6-dichlorophenyl)methanesulfonamide;hydrochloride
CID 86780581
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide (CID 122150367) is N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide is O=S(=O)(Cc1c(Cl)cccc1Cl)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide?
The InChIKey is LXDKJZZWFOEAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S/c11-9-2-1-3-10(12)8(9)6-17(15,16)14-7-4-13-5-7/h1-3,7,13-14H,4-6H2.
What are the key properties of N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide?
N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide has a molecular weight of 295.19 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1-(2,6-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 122150367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).