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

C11H12ClN3O3S2 — CID 11348198

IUPAC3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCO)ns1
InChIInChI=1S/C11H12ClN3O3S2/c1-7-8(12)3-2-4-9(7)20(17,18)15-11-13-10(5-6-16)14-19-11/h2-4,16H,5-6H2,1H3,(H,13,14,15)
InChIKeyGJMVBBRNPQPNTG-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.84
Rot. Bonds5

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

3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide (PubChem CID 11348198) has the molecular formula C11H12ClN3O3S2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
PubChem CID11348198
Molecular FormulaC11H12ClN3O3S2
Molecular Weight333.82 g/mol
Exact Mass333.00
IUPAC Name3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCO)ns1
InChIInChI=1S/C11H12ClN3O3S2/c1-7-8(12)3-2-4-9(7)20(17,18)15-11-13-10(5-6-16)14-19-11/h2-4,16H,5-6H2,1H3,(H,13,14,15)
InChIKeyGJMVBBRNPQPNTG-UHFFFAOYSA-N
XLogP1.84
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-5-fluoro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 16119611
3-chloro-2-methyl-N-[3-[2-[methyl(trifluoromethylsulfonyl)amino]ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22027915
3-chloro-2-methyl-N-[3-[2-(trifluoromethylsulfonylamino)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028003
3-chloro-2-methyl-N-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 22028040
3-chloro-N-[3-[2-(2-fluoroethoxy)ethyl]-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
CID 22028044
3-chloro-2-methyl-N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 16119018
3-chloro-2-methyl-N-[3-[(1R)-1-phenylsulfanylethyl]-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 16119060
3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081317
3-chloro-2-methyl-N-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 21081322
3-chloro-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
CID 21081332
3-chloro-2-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081333
3-chloro-4-methyl-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081334

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide (CID 11348198) is 3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1nc(CCO)ns1.
What is the InChIKey of 3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
The InChIKey is GJMVBBRNPQPNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S2/c1-7-8(12)3-2-4-9(7)20(17,18)15-11-13-10(5-6-16)14-19-11/h2-4,16H,5-6H2,1H3,(H,13,14,15).
What are the key properties of 3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide?
3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide has a molecular weight of 333.82 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 11348198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).