2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

C14H18N4O3S2 — CID 75431829

IUPAC2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2nc(N3CCOCC3)ns2)c1
InChIInChI=1S/C14H18N4O3S2/c1-10-3-4-11(2)12(9-10)23(19,20)17-14-15-13(16-22-14)18-5-7-21-8-6-18/h3-4,9H,5-8H2,1-2H3,(H,15,16,17)
InChIKeyJFHZIXHEIDNFHD-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.79
Rot. Bonds4

About 2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide

2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 75431829) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID75431829
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC Name2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2nc(N3CCOCC3)ns2)c1
InChIInChI=1S/C14H18N4O3S2/c1-10-3-4-11(2)12(9-10)23(19,20)17-14-15-13(16-22-14)18-5-7-21-8-6-18/h3-4,9H,5-8H2,1-2H3,(H,15,16,17)
InChIKeyJFHZIXHEIDNFHD-UHFFFAOYSA-N
XLogP1.79
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 75431829) is 2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2nc(N3CCOCC3)ns2)c1.
What is the InChIKey of 2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is JFHZIXHEIDNFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-10-3-4-11(2)12(9-10)23(19,20)17-14-15-13(16-22-14)18-5-7-21-8-6-18/h3-4,9H,5-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 354.46 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 75431829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).