N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide

C12H16Cl2N2O2S — CID 66215475

IUPACN-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2S/c1-2-3-16(11-7-15-8-11)19(17,18)12-5-9(13)4-10(14)6-12/h4-6,11,15H,2-3,7-8H2,1H3
InChIKeyQAMZPCXNTRRADK-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.37
Rot. Bonds5

About N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide

N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide (PubChem CID 66215475) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
PubChem CID66215475
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC NameN-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
SMILESCCCN(C1CNC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2S/c1-2-3-16(11-7-15-8-11)19(17,18)12-5-9(13)4-10(14)6-12/h4-6,11,15H,2-3,7-8H2,1H3
InChIKeyQAMZPCXNTRRADK-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-4-iodo-N-propylbenzenesulfonamide
CID 66216683
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848
N-(azetidin-3-yl)-2-chloro-4-fluoro-N-propylbenzenesulfonamide
CID 66215680
N-(azetidin-3-yl)-5-chloro-2-cyano-N-propylbenzenesulfonamide
CID 66214863
3,5-dichloro-N-(2-chloroethyl)-N-cyclopentylbenzenesulfonamide
CID 63396941
4-[azetidin-3-yl(propyl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 66216482
3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
N-(azetidin-3-yl)-2,4-dimethyl-N-propylbenzenesulfonamide
CID 66214666
3-chloro-4-methyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976554
N-(azetidin-3-yl)-2-chloro-4-nitro-N-propylbenzenesulfonamide
CID 66216474
N-(azetidin-3-yl)-2-(4-chlorophenyl)-N-propylethenesulfonamide
CID 77114927
N-(3-bromopropyl)-3,5-dichloro-N-cyclobutylbenzenesulfonamide
CID 102873383

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide?
The IUPAC name of N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide (CID 66215475) is N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide?
The canonical SMILES for N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide is CCCN(C1CNC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide?
The InChIKey is QAMZPCXNTRRADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-2-3-16(11-7-15-8-11)19(17,18)12-5-9(13)4-10(14)6-12/h4-6,11,15H,2-3,7-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide?
N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide has a molecular weight of 323.25 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide is sourced from PubChem (CID 66215475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).