5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide

C15H16ClN5O3S — CID 172538327

IUPAC5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1nccn2c(C(C)C)nnc12
InChIInChI=1S/C15H16ClN5O3S/c1-9(2)14-18-19-15-13(17-6-7-21(14)15)20-25(22,23)12-8-10(16)4-5-11(12)24-3/h4-9H,1-3H3,(H,17,20)
InChIKeyAQNQGBHVUZLRLT-UHFFFAOYSA-N
MW381.85 g/mol
LogP2.71
Rot. Bonds5

About 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide

5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide (PubChem CID 172538327) has the molecular formula C15H16ClN5O3S and a molecular weight of 381.85 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide
PubChem CID172538327
Molecular FormulaC15H16ClN5O3S
Molecular Weight381.85 g/mol
Exact Mass381.07
IUPAC Name5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1nccn2c(C(C)C)nnc12
InChIInChI=1S/C15H16ClN5O3S/c1-9(2)14-18-19-15-13(17-6-7-21(14)15)20-25(22,23)12-8-10(16)4-5-11(12)24-3/h4-9H,1-3H3,(H,17,20)
InChIKeyAQNQGBHVUZLRLT-UHFFFAOYSA-N
XLogP2.71
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.85
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
8-N-(5-chloro-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazine-3,8-diamine
CID 53260636
5-chloro-2-methoxy-N-quinolin-8-ylbenzenesulfonamide
CID 76506690
CID 70601990
CID 70601990
5-chloro-2-methoxy-N-[6-(3-methylbutylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044623
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3794825
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
5-chloro-2-methoxy-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122291970

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide (CID 172538327) is 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1nccn2c(C(C)C)nnc12.
What is the InChIKey of 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide?
The InChIKey is AQNQGBHVUZLRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O3S/c1-9(2)14-18-19-15-13(17-6-7-21(14)15)20-25(22,23)12-8-10(16)4-5-11(12)24-3/h4-9H,1-3H3,(H,17,20).
What are the key properties of 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide?
5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide has a molecular weight of 381.85 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)benzenesulfonamide is sourced from PubChem (CID 172538327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).