3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide

C18H19ClN2O3S — CID 25163089

IUPAC3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-20(13-14-6-3-2-4-7-14)25(23,24)15-8-9-17(19)16(12-15)18(22)21-10-5-11-21/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyHMPCWMVLBHCJGN-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.01
Rot. Bonds5

About 3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide

3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide (PubChem CID 25163089) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide
PubChem CID25163089
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC2)c1
InChIInChI=1S/C18H19ClN2O3S/c1-20(13-14-6-3-2-4-7-14)25(23,24)15-8-9-17(19)16(12-15)18(22)21-10-5-11-21/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyHMPCWMVLBHCJGN-UHFFFAOYSA-N
XLogP3.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide?
The IUPAC name of 3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide (CID 25163089) is 3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC2)c1.
What is the InChIKey of 3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide?
The InChIKey is HMPCWMVLBHCJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-20(13-14-6-3-2-4-7-14)25(23,24)15-8-9-17(19)16(12-15)18(22)21-10-5-11-21/h2-4,6-9,12H,5,10-11,13H2,1H3.
What are the key properties of 3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide?
3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide has a molecular weight of 378.88 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidine-1-carbonyl)-N-benzyl-4-chloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 25163089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).