4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide

C20H22N4O3S — CID 15996776

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-4-15-5-9-17(10-6-15)21-20(25)16-7-11-18(12-8-16)24-28(26,27)19-13(2)22-23-14(19)3/h5-12,24H,4H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyGZTAHICZFIHGRD-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.64
Rot. Bonds6

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide (PubChem CID 15996776) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide
PubChem CID15996776
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-4-15-5-9-17(10-6-15)21-20(25)16-7-11-18(12-8-16)24-28(26,27)19-13(2)22-23-14(19)3/h5-12,24H,4H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyGZTAHICZFIHGRD-UHFFFAOYSA-N
XLogP3.64
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide (CID 15996776) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)cc2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide?
The InChIKey is GZTAHICZFIHGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-4-15-5-9-17(10-6-15)21-20(25)16-7-11-18(12-8-16)24-28(26,27)19-13(2)22-23-14(19)3/h5-12,24H,4H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide has a molecular weight of 398.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 15996776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).