3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide

C17H16N4O3S — CID 94146587

IUPAC3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cn1
InChIInChI=1S/C17H16N4O3S/c1-21-12-15(11-18-21)19-17(22)13-6-5-7-14(10-13)20-25(23,24)16-8-3-2-4-9-16/h2-12,20H,1H3,(H,19,22)
InChIKeyXYDCOTYCNVYKFQ-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.47
Rot. Bonds5

About 3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide

3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 94146587) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID94146587
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cn1
InChIInChI=1S/C17H16N4O3S/c1-21-12-15(11-18-21)19-17(22)13-6-5-7-14(10-13)20-25(23,24)16-8-3-2-4-9-16/h2-12,20H,1H3,(H,19,22)
InChIKeyXYDCOTYCNVYKFQ-UHFFFAOYSA-N
XLogP2.47
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide (CID 94146587) is 3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cn1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is XYDCOTYCNVYKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-21-12-15(11-18-21)19-17(22)13-6-5-7-14(10-13)20-25(23,24)16-8-3-2-4-9-16/h2-12,20H,1H3,(H,19,22).
What are the key properties of 3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide?
3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 356.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 94146587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).