5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide

C21H24N4O3S — CID 57398165

IUPAC5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N4O3S/c1-3-16(4-2)23-21(26)19-15-22-25(17-11-7-5-8-12-17)20(19)24-29(27,28)18-13-9-6-10-14-18/h5-16,24H,3-4H2,1-2H3,(H,23,26)
InChIKeyPLSACLAQHRXXAE-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.59
Rot. Bonds8

About 5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide

5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide (PubChem CID 57398165) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
PubChem CID57398165
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide
SMILESCCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N4O3S/c1-3-16(4-2)23-21(26)19-15-22-25(17-11-7-5-8-12-17)20(19)24-29(27,28)18-13-9-6-10-14-18/h5-16,24H,3-4H2,1-2H3,(H,23,26)
InChIKeyPLSACLAQHRXXAE-UHFFFAOYSA-N
XLogP3.59
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide (CID 57398165) is 5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide is CCC(CC)NC(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
The InChIKey is PLSACLAQHRXXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-3-16(4-2)23-21(26)19-15-22-25(17-11-7-5-8-12-17)20(19)24-29(27,28)18-13-9-6-10-14-18/h5-16,24H,3-4H2,1-2H3,(H,23,26).
What are the key properties of 5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide?
5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-N-pentan-3-yl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 57398165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).