N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide

C15H19Cl2N5O3S — CID 76684473

IUPACN-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H19Cl2N5O3S/c1-26(23,24)22(5-4-20-6-8-25-9-7-20)15-11-21(19-18-15)12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3
InChIKeyHFHVMTOKKKUYDG-UHFFFAOYSA-N
MW420.32 g/mol
LogP1.67
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide

N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide (PubChem CID 76684473) has the molecular formula C15H19Cl2N5O3S and a molecular weight of 420.32 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
PubChem CID76684473
Molecular FormulaC15H19Cl2N5O3S
Molecular Weight420.32 g/mol
Exact Mass419.06
IUPAC NameN-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H19Cl2N5O3S/c1-26(23,24)22(5-4-20-6-8-25-9-7-20)15-11-21(19-18-15)12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3
InChIKeyHFHVMTOKKKUYDG-UHFFFAOYSA-N
XLogP1.67
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-1H-1,2,3-triazol-4-amine
CID 76683773
1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine
CID 76683982
N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 76684383
1-(3,4-dichlorophenyl)-N-(2-morpholinoethyl)-N-propyl-1H-1,2,3-triazol-4-amine
CID 76684475
1-(3,4-dichlorophenyl)-N-ethyl-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684477
1-(1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)-1-(2-morpholinoethyl)-3-propylthiourea
CID 76684479
1-(3,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride
CID 76683772
1-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)triazol-4-amine;hydrochloride
CID 76683981
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride
CID 76684097
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine
CID 76684098
1-(3-chloro-4-fluorophenyl)-N-(2-morpholin-4-ylethyl)triazol-4-amine;hydrochloride
CID 76684211
N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 76684382

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide (CID 76684473) is N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide is CS(=O)(=O)N(CCN1CCOCC1)c1cn(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The InChIKey is HFHVMTOKKKUYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N5O3S/c1-26(23,24)22(5-4-20-6-8-25-9-7-20)15-11-21(19-18-15)12-2-3-13(16)14(17)10-12/h2-3,10-11H,4-9H2,1H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide has a molecular weight of 420.32 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)triazol-4-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 76684473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).