3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide

C15H19ClN4O3S2 — CID 22027998

IUPAC3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCN2CCOCC2)ns1
InChIInChI=1S/C15H19ClN4O3S2/c1-11-12(16)3-2-4-13(11)25(21,22)19-15-17-14(18-24-15)5-6-20-7-9-23-10-8-20/h2-4H,5-10H2,1H3,(H,17,18,19)
InChIKeyIEBGLYSDWQHHIB-UHFFFAOYSA-N
MW402.93 g/mol
LogP2.18
Rot. Bonds6

About 3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide

3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 22027998) has the molecular formula C15H19ClN4O3S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID22027998
Molecular FormulaC15H19ClN4O3S2
Molecular Weight402.93 g/mol
Exact Mass402.06
IUPAC Name3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCN2CCOCC2)ns1
InChIInChI=1S/C15H19ClN4O3S2/c1-11-12(16)3-2-4-13(11)25(21,22)19-15-17-14(18-24-15)5-6-20-7-9-23-10-8-20/h2-4H,5-10H2,1H3,(H,17,18,19)
InChIKeyIEBGLYSDWQHHIB-UHFFFAOYSA-N
XLogP2.18
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 22027998) is 3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCN2CCOCC2)ns1.
What is the InChIKey of 3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is IEBGLYSDWQHHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3S2/c1-11-12(16)3-2-4-13(11)25(21,22)19-15-17-14(18-24-15)5-6-20-7-9-23-10-8-20/h2-4H,5-10H2,1H3,(H,17,18,19).
What are the key properties of 3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 402.93 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[3-(2-morpholin-4-ylethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 22027998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).