2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide

C14H14Cl2N4O4S2 — CID 22027931

IUPAC2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESO=C1COCCN1CCc1nsc(NS(=O)(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N4O4S2/c15-9-1-2-11(10(16)7-9)26(22,23)19-14-17-12(18-25-14)3-4-20-5-6-24-8-13(20)21/h1-2,7H,3-6,8H2,(H,17,18,19)
InChIKeyNFTGMSQBAZJSJC-UHFFFAOYSA-N
MW437.33 g/mol
LogP2.05
Rot. Bonds6

About 2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide

2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 22027931) has the molecular formula C14H14Cl2N4O4S2 and a molecular weight of 437.33 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID22027931
Molecular FormulaC14H14Cl2N4O4S2
Molecular Weight437.33 g/mol
Exact Mass435.98
IUPAC Name2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESO=C1COCCN1CCc1nsc(NS(=O)(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N4O4S2/c15-9-1-2-11(10(16)7-9)26(22,23)19-14-17-12(18-25-14)3-4-20-5-6-24-8-13(20)21/h1-2,7H,3-6,8H2,(H,17,18,19)
InChIKeyNFTGMSQBAZJSJC-UHFFFAOYSA-N
XLogP2.05
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 22027931) is 2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide is O=C1COCCN1CCc1nsc(NS(=O)(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is NFTGMSQBAZJSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O4S2/c15-9-1-2-11(10(16)7-9)26(22,23)19-14-17-12(18-25-14)3-4-20-5-6-24-8-13(20)21/h1-2,7H,3-6,8H2,(H,17,18,19).
What are the key properties of 2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 437.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[2-(3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22027931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).