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

C16H22N4O5S2 — CID 42283697

IUPACN-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2C(C)(C)C)cc1
InChIInChI=1S/C16H22N4O5S2/c1-11(21)18-26(22,23)13-8-6-12(7-9-13)19-27(24,25)14-10-20(5)17-15(14)16(2,3)4/h6-10,19H,1-5H3,(H,18,21)
InChIKeyGHBWKUWIFPVDKA-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.34
Rot. Bonds5

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

N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide (PubChem CID 42283697) has the molecular formula C16H22N4O5S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
PubChem CID42283697
Molecular FormulaC16H22N4O5S2
Molecular Weight414.51 g/mol
Exact Mass414.10
IUPAC NameN-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2C(C)(C)C)cc1
InChIInChI=1S/C16H22N4O5S2/c1-11(21)18-26(22,23)13-8-6-12(7-9-13)19-27(24,25)14-10-20(5)17-15(14)16(2,3)4/h6-10,19H,1-5H3,(H,18,21)
InChIKeyGHBWKUWIFPVDKA-UHFFFAOYSA-N
XLogP1.34
TPSA127.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 42283696
3-tert-butyl-1-methyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 42283702
3-tert-butyl-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 42283699
N-[4-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide
CID 42282842
N-[4-(tert-butylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 17383073
N-[4-(naphthalen-1-ylsulfonylamino)phenyl]sulfonylacetamide
CID 10501408
N-[4-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]phenyl]sulfonylacetamide
CID 10789418
1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
CID 22774819
N-[4-(ethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 22203398
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
3-tert-butyl-1-cyclopentyl-N-(4-hydroxyphenyl)pyrazole-4-sulfonamide
CID 42284183
N-[4-(1-adamantylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 22202889

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide?
The IUPAC name of N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide (CID 42283697) is N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cn(C)nc2C(C)(C)C)cc1.
What is the InChIKey of N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide?
The InChIKey is GHBWKUWIFPVDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S2/c1-11(21)18-26(22,23)13-8-6-12(7-9-13)19-27(24,25)14-10-20(5)17-15(14)16(2,3)4/h6-10,19H,1-5H3,(H,18,21).
What are the key properties of N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide?
N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide has a molecular weight of 414.51 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-tert-butyl-1-methylpyrazol-4-yl)sulfonylamino]phenyl]sulfonylacetamide is sourced from PubChem (CID 42283697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).