5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide

C22H26N4O3S — CID 57391103

IUPAC5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C22H26N4O3S/c1-4-17(5-2)24-22(27)19-15-23-26(18-12-7-6-8-13-18)21(19)25-30(28,29)20-14-10-9-11-16(20)3/h6-15,17,25H,4-5H2,1-3H3,(H,24,27)
InChIKeyUBIPXJMGZGJHMU-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.90
Rot. Bonds8

About 5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide

5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide (PubChem CID 57391103) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
PubChem CID57391103
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C22H26N4O3S/c1-4-17(5-2)24-22(27)19-15-23-26(18-12-7-6-8-13-18)21(19)25-30(28,29)20-14-10-9-11-16(20)3/h6-15,17,25H,4-5H2,1-3H3,(H,24,27)
InChIKeyUBIPXJMGZGJHMU-UHFFFAOYSA-N
XLogP3.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide (CID 57391103) is 5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide is CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1C.
What is the InChIKey of 5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The InChIKey is UBIPXJMGZGJHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-17(5-2)24-22(27)19-15-23-26(18-12-7-6-8-13-18)21(19)25-30(28,29)20-14-10-9-11-16(20)3/h6-15,17,25H,4-5H2,1-3H3,(H,24,27).
What are the key properties of 5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)sulfonylamino]-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57391103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).