5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide

C17H17ClN4O3S — CID 122162697

IUPAC5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-c2ccnn2C)nc1
InChIInChI=1S/C17H17ClN4O3S/c1-22-15(7-8-20-22)14-5-3-12(10-19-14)11-21-26(23,24)17-9-13(18)4-6-16(17)25-2/h3-10,21H,11H2,1-2H3
InChIKeyPGGFVNZTIMIKOQ-UHFFFAOYSA-N
MW392.87 g/mol
LogP2.62
Rot. Bonds6

About 5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide

5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 122162697) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID122162697
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC Name5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-c2ccnn2C)nc1
InChIInChI=1S/C17H17ClN4O3S/c1-22-15(7-8-20-22)14-5-3-12(10-19-14)11-21-26(23,24)17-9-13(18)4-6-16(17)25-2/h3-10,21H,11H2,1-2H3
InChIKeyPGGFVNZTIMIKOQ-UHFFFAOYSA-N
XLogP2.62
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methoxybenzenesulfonamide
CID 110672576
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
5-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-methoxybenzenesulfonamide
CID 121196914
5-chloro-N-[[4-(furan-3-yl)phenyl]methyl]-2-methoxybenzenesulfonamide
CID 119103357
5-chloro-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 4982528
5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625706
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 53022471
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
5-chloro-N-[(3-iodophenyl)methyl]-2-methoxybenzenesulfonamide
CID 5017100
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 55869321

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 122162697) is 5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(-c2ccnn2C)nc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is PGGFVNZTIMIKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c1-22-15(7-8-20-22)14-5-3-12(10-19-14)11-21-26(23,24)17-9-13(18)4-6-16(17)25-2/h3-10,21H,11H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 392.87 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 122162697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).