1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide

C22H18N4O3S — CID 163248844

IUPAC1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)cc2oc3ccccc3c12
InChIInChI=1S/C22H18N4O3S/c1-14-7-3-4-8-16(14)22-21-17-9-5-6-10-18(17)29-19(21)11-20(24-22)25-30(27,28)15-12-23-26(2)13-15/h3-13H,1-2H3,(H,24,25)
InChIKeyJLTGAUGQYBMJNN-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.49
Rot. Bonds4

About 1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide

1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide (PubChem CID 163248844) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide
PubChem CID163248844
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide
SMILESCc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)cc2oc3ccccc3c12
InChIInChI=1S/C22H18N4O3S/c1-14-7-3-4-8-16(14)22-21-17-9-5-6-10-18(17)29-19(21)11-20(24-22)25-30(27,28)15-12-23-26(2)13-15/h3-13H,1-2H3,(H,24,25)
InChIKeyJLTGAUGQYBMJNN-UHFFFAOYSA-N
XLogP4.49
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide (CID 163248844) is 1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide is Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)cc2oc3ccccc3c12.
What is the InChIKey of 1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is JLTGAUGQYBMJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c1-14-7-3-4-8-16(14)22-21-17-9-5-6-10-18(17)29-19(21)11-20(24-22)25-30(27,28)15-12-23-26(2)13-15/h3-13H,1-2H3,(H,24,25).
What are the key properties of 1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide?
1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide has a molecular weight of 418.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 163248844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).