5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide

C22H24N4O4S — CID 57401587

IUPAC5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCOCC3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-16-7-9-19(10-8-16)31(28,29)25-21-20(22(27)24-17-11-13-30-14-12-17)15-23-26(21)18-5-3-2-4-6-18/h2-10,15,17,25H,11-14H2,1H3,(H,24,27)
InChIKeyXUICATCWRHDGPN-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.89
Rot. Bonds6

About 5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide

5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 57401587) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID57401587
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCOCC3)cnn2-c2ccccc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-16-7-9-19(10-8-16)31(28,29)25-21-20(22(27)24-17-11-13-30-14-12-17)15-23-26(21)18-5-3-2-4-6-18/h2-10,15,17,25H,11-14H2,1H3,(H,24,27)
InChIKeyXUICATCWRHDGPN-UHFFFAOYSA-N
XLogP2.89
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide (CID 57401587) is 5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)Nc2c(C(=O)NC3CCOCC3)cnn2-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is XUICATCWRHDGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-16-7-9-19(10-8-16)31(28,29)25-21-20(22(27)24-17-11-13-30-14-12-17)15-23-26(21)18-5-3-2-4-6-18/h2-10,15,17,25H,11-14H2,1H3,(H,24,27).
What are the key properties of 5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide?
5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfonylamino]-N-(oxan-4-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57401587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).