N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide

C17H22N4O5S2 — CID 42282842

IUPACN-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)cc1
InChIInChI=1S/C17H22N4O5S2/c1-12-17(11-21(18-12)15-5-3-4-6-15)28(25,26)20-14-7-9-16(10-8-14)27(23,24)19-13(2)22/h7-11,15,20H,3-6H2,1-2H3,(H,19,22)
InChIKeyVTKWYLLKZKFZNY-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.93
Rot. Bonds6

About N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide

N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide (PubChem CID 42282842) has the molecular formula C17H22N4O5S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
PubChem CID42282842
Molecular FormulaC17H22N4O5S2
Molecular Weight426.52 g/mol
Exact Mass426.10
IUPAC NameN-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)cc1
InChIInChI=1S/C17H22N4O5S2/c1-12-17(11-21(18-12)15-5-3-4-6-15)28(25,26)20-14-7-9-16(10-8-14)27(23,24)19-13(2)22/h7-11,15,20H,3-6H2,1-2H3,(H,19,22)
InChIKeyVTKWYLLKZKFZNY-UHFFFAOYSA-N
XLogP1.93
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282754
N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282836
ethyl 4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282768
3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 42284183
N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 42283697
N-(4-bromo-2-methylphenyl)-1-cyclopentyl-3-methylpyrazole-4-sulfonamide
CID 42282799
N-(4-bromophenyl)-3-tert-butyl-1-cyclopentylpyrazole-4-sulfonamide
CID 42284178
1-cyclopentyl-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
CID 42282816
methyl 4-[(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonylamino]benzoate
CID 42284988
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide (CID 42282842) is N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cn(C3CCCC3)nc2C)cc1.
What is the InChIKey of N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide?
The InChIKey is VTKWYLLKZKFZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S2/c1-12-17(11-21(18-12)15-5-3-4-6-15)28(25,26)20-14-7-9-16(10-8-14)27(23,24)19-13(2)22/h7-11,15,20H,3-6H2,1-2H3,(H,19,22).
What are the key properties of N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide?
N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide has a molecular weight of 426.52 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide is sourced from PubChem (CID 42282842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).