[1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone

C13H13ClN4O4S — CID 67453405

IUPAC[1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ncn(S(=O)(=O)c2ccc(Cl)cc2)n1)N1CCOCC1
InChIInChI=1S/C13H13ClN4O4S/c14-10-1-3-11(4-2-10)23(20,21)18-9-15-12(16-18)13(19)17-5-7-22-8-6-17/h1-4,9H,5-8H2
InChIKeyNVSYRVHPJRIRDF-UHFFFAOYSA-N
MW356.79 g/mol
LogP0.64
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone

[1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 67453405) has the molecular formula C13H13ClN4O4S and a molecular weight of 356.79 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
PubChem CID67453405
Molecular FormulaC13H13ClN4O4S
Molecular Weight356.79 g/mol
Exact Mass356.03
IUPAC Name[1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ncn(S(=O)(=O)c2ccc(Cl)cc2)n1)N1CCOCC1
InChIInChI=1S/C13H13ClN4O4S/c14-10-1-3-11(4-2-10)23(20,21)18-9-15-12(16-18)13(19)17-5-7-22-8-6-17/h1-4,9H,5-8H2
InChIKeyNVSYRVHPJRIRDF-UHFFFAOYSA-N
XLogP0.64
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-chloro-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 4638266
4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668414
4-chloro-N-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
CID 2242336
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346
4-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]sulfonylmorpholine
CID 34198649
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 34182939
[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 82188848
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone (CID 67453405) is [1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone is O=C(c1ncn(S(=O)(=O)c2ccc(Cl)cc2)n1)N1CCOCC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NVSYRVHPJRIRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O4S/c14-10-1-3-11(4-2-10)23(20,21)18-9-15-12(16-18)13(19)17-5-7-22-8-6-17/h1-4,9H,5-8H2.
What are the key properties of [1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone?
[1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 356.79 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonyl-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67453405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).