5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide

C11H10ClN5O3S2 — CID 110401829

IUPAC5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1nn2cnnc2s1
InChIInChI=1S/C11H10ClN5O3S2/c1-20-8-3-2-7(12)4-9(8)22(18,19)14-5-10-16-17-6-13-15-11(17)21-10/h2-4,6,14H,5H2,1H3
InChIKeyHKOOFZOFCMNSBQ-UHFFFAOYSA-N
MW359.82 g/mol
LogP1.33
Rot. Bonds5

About 5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide

5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide (PubChem CID 110401829) has the molecular formula C11H10ClN5O3S2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
PubChem CID110401829
Molecular FormulaC11H10ClN5O3S2
Molecular Weight359.82 g/mol
Exact Mass358.99
IUPAC Name5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1nn2cnnc2s1
InChIInChI=1S/C11H10ClN5O3S2/c1-20-8-3-2-7(12)4-9(8)22(18,19)14-5-10-16-17-6-13-15-11(17)21-10/h2-4,6,14H,5H2,1H3
InChIKeyHKOOFZOFCMNSBQ-UHFFFAOYSA-N
XLogP1.33
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-5-methyl-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide
CID 110401787
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 110717401
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 90547695
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
5-bromo-2-methoxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 47158433
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
CID 70601990
CID 70601990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide (CID 110401829) is 5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1nn2cnnc2s1.
What is the InChIKey of 5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide?
The InChIKey is HKOOFZOFCMNSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O3S2/c1-20-8-3-2-7(12)4-9(8)22(18,19)14-5-10-16-17-6-13-15-11(17)21-10/h2-4,6,14H,5H2,1H3.
What are the key properties of 5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide?
5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide has a molecular weight of 359.82 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 110401829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).