2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

C14H20Cl2N2O3S — CID 3126386

IUPAC2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O3S/c1-11-9-14(13(16)10-12(11)15)22(19,20)17-3-2-4-18-5-7-21-8-6-18/h9-10,17H,2-8H2,1H3
InChIKeyXHRXZLNBTQISFV-UHFFFAOYSA-N
MW367.30 g/mol
LogP2.30
Rot. Bonds6

About 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide

2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 3126386) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID3126386
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC Name2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCCN2CCOCC2)c(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O3S/c1-11-9-14(13(16)10-12(11)15)22(19,20)17-3-2-4-18-5-7-21-8-6-18/h9-10,17H,2-8H2,1H3
InChIKeyXHRXZLNBTQISFV-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide (CID 3126386) is 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCCN2CCOCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is XHRXZLNBTQISFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-11-9-14(13(16)10-12(11)15)22(19,20)17-3-2-4-18-5-7-21-8-6-18/h9-10,17H,2-8H2,1H3.
What are the key properties of 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide?
2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 367.30 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 3126386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).