3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide

C15H17ClN4O5S2 — CID 22027897

IUPAC3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCN2CCOC(O)C2=O)ns1
InChIInChI=1S/C15H17ClN4O5S2/c1-9-10(16)3-2-4-11(9)27(23,24)19-15-17-12(18-26-15)5-6-20-7-8-25-14(22)13(20)21/h2-4,14,22H,5-8H2,1H3,(H,17,18,19)
InChIKeyORXGHJFTCQCBDC-UHFFFAOYSA-N
MW432.91 g/mol
LogP1.02
Rot. Bonds6

About 3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide

3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide (PubChem CID 22027897) has the molecular formula C15H17ClN4O5S2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
PubChem CID22027897
Molecular FormulaC15H17ClN4O5S2
Molecular Weight432.91 g/mol
Exact Mass432.03
IUPAC Name3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCN2CCOC(O)C2=O)ns1
InChIInChI=1S/C15H17ClN4O5S2/c1-9-10(16)3-2-4-11(9)27(23,24)19-15-17-12(18-26-15)5-6-20-7-8-25-14(22)13(20)21/h2-4,14,22H,5-8H2,1H3,(H,17,18,19)
InChIKeyORXGHJFTCQCBDC-UHFFFAOYSA-N
XLogP1.02
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide (CID 22027897) is 3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCN2CCOC(O)C2=O)ns1.
What is the InChIKey of 3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
The InChIKey is ORXGHJFTCQCBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O5S2/c1-9-10(16)3-2-4-11(9)27(23,24)19-15-17-12(18-26-15)5-6-20-7-8-25-14(22)13(20)21/h2-4,14,22H,5-8H2,1H3,(H,17,18,19).
What are the key properties of 3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide has a molecular weight of 432.91 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[2-(2-hydroxy-3-oxomorpholin-4-yl)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 22027897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).