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

C14H17ClN4O3S2 — CID 21081454

IUPAC3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CN2CCOCC2)ns1
InChIInChI=1S/C14H17ClN4O3S2/c1-10-11(15)3-2-4-12(10)24(20,21)18-14-16-13(17-23-14)9-19-5-7-22-8-6-19/h2-4H,5-9H2,1H3,(H,16,17,18)
InChIKeyJXTOSEHIJAVMRV-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.13
Rot. Bonds5

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

3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (PubChem CID 21081454) has the molecular formula C14H17ClN4O3S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
PubChem CID21081454
Molecular FormulaC14H17ClN4O3S2
Molecular Weight388.90 g/mol
Exact Mass388.04
IUPAC Name3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CN2CCOCC2)ns1
InChIInChI=1S/C14H17ClN4O3S2/c1-10-11(15)3-2-4-12(10)24(20,21)18-14-16-13(17-23-14)9-19-5-7-22-8-6-19/h2-4H,5-9H2,1H3,(H,16,17,18)
InChIKeyJXTOSEHIJAVMRV-UHFFFAOYSA-N
XLogP2.13
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.13
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-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide (CID 21081454) is 3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CN2CCOCC2)ns1.
What is the InChIKey of 3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
The InChIKey is JXTOSEHIJAVMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3S2/c1-10-11(15)3-2-4-12(10)24(20,21)18-14-16-13(17-23-14)9-19-5-7-22-8-6-19/h2-4H,5-9H2,1H3,(H,16,17,18).
What are the key properties of 3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[3-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide has a molecular weight of 388.90 g/mol, XLogP of 2.13, 5 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-(morpholin-4-ylmethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 21081454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).