3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide

C15H20N4O3S — CID 167775799

IUPAC3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1cc(NS(=O)(=O)c2cn(C(C)C)nc2C)cc(C(N)=O)c1
InChIInChI=1S/C15H20N4O3S/c1-9(2)19-8-14(11(4)17-19)23(21,22)18-13-6-10(3)5-12(7-13)15(16)20/h5-9,18H,1-4H3,(H2,16,20)
InChIKeyBWEMWEZNWCNBTO-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.98
Rot. Bonds5

About 3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide

3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide (PubChem CID 167775799) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide
PubChem CID167775799
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide
SMILESCc1cc(NS(=O)(=O)c2cn(C(C)C)nc2C)cc(C(N)=O)c1
InChIInChI=1S/C15H20N4O3S/c1-9(2)19-8-14(11(4)17-19)23(21,22)18-13-6-10(3)5-12(7-13)15(16)20/h5-9,18H,1-4H3,(H2,16,20)
InChIKeyBWEMWEZNWCNBTO-UHFFFAOYSA-N
XLogP1.98
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide?
The IUPAC name of 3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide (CID 167775799) is 3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide.
What is the SMILES notation for 3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide?
The canonical SMILES for 3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide is Cc1cc(NS(=O)(=O)c2cn(C(C)C)nc2C)cc(C(N)=O)c1.
What is the InChIKey of 3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide?
The InChIKey is BWEMWEZNWCNBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9(2)19-8-14(11(4)17-19)23(21,22)18-13-6-10(3)5-12(7-13)15(16)20/h5-9,18H,1-4H3,(H2,16,20).
What are the key properties of 3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide?
3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide has a molecular weight of 336.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide is sourced from PubChem (CID 167775799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).