3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide

C10H10ClN3O3S2 — CID 21081335

IUPAC3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
SMILESCOc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C10H10ClN3O3S2/c1-6-7(11)4-3-5-8(6)19(15,16)14-10-12-9(17-2)13-18-10/h3-5H,1-2H3,(H,12,13,14)
InChIKeyNJBBIIISNCFRFQ-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.31
Rot. Bonds4

About 3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide

3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 21081335) has the molecular formula C10H10ClN3O3S2 and a molecular weight of 319.80 g/mol. Its IUPAC name is 3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID21081335
Molecular FormulaC10H10ClN3O3S2
Molecular Weight319.80 g/mol
Exact Mass318.99
IUPAC Name3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide
SMILESCOc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1
InChIInChI=1S/C10H10ClN3O3S2/c1-6-7(11)4-3-5-8(6)19(15,16)14-10-12-9(17-2)13-18-10/h3-5H,1-2H3,(H,12,13,14)
InChIKeyNJBBIIISNCFRFQ-UHFFFAOYSA-N
XLogP2.31
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.31
H-Bond Donors ≤ 51
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-(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
5-chloro-2-fluoro-4-methyl-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129264627
3-chloro-N-[3-(2-hydroxyethyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzenesulfonamide
CID 11348198
3-chloro-2-methyl-N-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]benzenesulfonamide
CID 16119018
N-(3-methoxy-1,2,4-thiadiazol-5-yl)-4-methylbenzenesulfonamide
CID 16119146
3-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081317
3-chloro-2-methyl-N-(3-morpholin-4-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081318
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide (CID 21081335) is 3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide is COc1nsc(NS(=O)(=O)c2cccc(Cl)c2C)n1.
What is the InChIKey of 3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is NJBBIIISNCFRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S2/c1-6-7(11)4-3-5-8(6)19(15,16)14-10-12-9(17-2)13-18-10/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide?
3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 319.80 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methoxy-1,2,4-thiadiazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 21081335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).