N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide

C16H17Cl2N3O5S2 — CID 57146308

IUPACN-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)NN2CCC2)cc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O5S2/c1-27(22,23)19-14-5-4-12(28(24,25)20-21-7-2-8-21)10-16(14)26-15-6-3-11(17)9-13(15)18/h3-6,9-10,19-20H,2,7-8H2,1H3
InChIKeyZMBZSWKNJVHPRI-UHFFFAOYSA-N
MW466.37 g/mol
LogP3.06
Rot. Bonds7

About N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide

N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide (PubChem CID 57146308) has the molecular formula C16H17Cl2N3O5S2 and a molecular weight of 466.37 g/mol. Its IUPAC name is N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound NameN-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide
PubChem CID57146308
Molecular FormulaC16H17Cl2N3O5S2
Molecular Weight466.37 g/mol
Exact Mass465.00
IUPAC NameN-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccc(S(=O)(=O)NN2CCC2)cc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H17Cl2N3O5S2/c1-27(22,23)19-14-5-4-12(28(24,25)20-21-7-2-8-21)10-16(14)26-15-6-3-11(17)9-13(15)18/h3-6,9-10,19-20H,2,7-8H2,1H3
InChIKeyZMBZSWKNJVHPRI-UHFFFAOYSA-N
XLogP3.06
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide (CID 57146308) is N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide is CS(=O)(=O)Nc1ccc(S(=O)(=O)NN2CCC2)cc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide?
The InChIKey is ZMBZSWKNJVHPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O5S2/c1-27(22,23)19-14-5-4-12(28(24,25)20-21-7-2-8-21)10-16(14)26-15-6-3-11(17)9-13(15)18/h3-6,9-10,19-20H,2,7-8H2,1H3.
What are the key properties of N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide?
N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide has a molecular weight of 466.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-1-yl)-3-(2,4-dichlorophenoxy)-4-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 57146308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).