2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C12H15Cl3N2O3S — CID 1327816

IUPAC2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O3S/c13-9-7-11(15)12(8-10(9)14)21(18,19)16-1-2-17-3-5-20-6-4-17/h7-8,16H,1-6H2
InChIKeyWGSHKECUAJKKLB-UHFFFAOYSA-N
MW373.69 g/mol
LogP2.26
Rot. Bonds5

About 2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 1327816) has the molecular formula C12H15Cl3N2O3S and a molecular weight of 373.69 g/mol. Its IUPAC name is 2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID1327816
Molecular FormulaC12H15Cl3N2O3S
Molecular Weight373.69 g/mol
Exact Mass371.99
IUPAC Name2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H15Cl3N2O3S/c13-9-7-11(15)12(8-10(9)14)21(18,19)16-1-2-17-3-5-20-6-4-17/h7-8,16H,1-6H2
InChIKeyWGSHKECUAJKKLB-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.69
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 1327816) is 2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is WGSHKECUAJKKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl3N2O3S/c13-9-7-11(15)12(8-10(9)14)21(18,19)16-1-2-17-3-5-20-6-4-17/h7-8,16H,1-6H2.
What are the key properties of 2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 373.69 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1327816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).