tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate

C14H17N3O4S — CID 58292272

IUPACtert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H17N3O4S/c1-14(2,3)21-13(18)16-22(19,20)12-7-5-11(6-8-12)17-10-4-9-15-17/h4-10H,1-3H3,(H,16,18)
InChIKeyXSPGAUBTRUIHNE-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.09
Rot. Bonds3

About tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate

tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate (PubChem CID 58292272) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate
PubChem CID58292272
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Nametert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate
SMILESCC(C)(C)OC(=O)NS(=O)(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C14H17N3O4S/c1-14(2,3)21-13(18)16-22(19,20)12-7-5-11(6-8-12)17-10-4-9-15-17/h4-10H,1-3H3,(H,16,18)
InChIKeyXSPGAUBTRUIHNE-UHFFFAOYSA-N
XLogP2.09
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
tert-butyl N-[[1-(4-sulfamoylphenyl)triazol-4-yl]methyl]carbamate
CID 118711618
4-(1H-pyrazol-1-yl)benzene-1-sulfonyl chloride
CID 2776475
N-[4-(1H-pyrazol-1-ylsulfonyl)phenyl]acetamide
CID 5142381
Benzenesulfonamide, 3-fluoro-4-(1H-pyrazol-1-yl)-
CID 54594288
N-(4-fluorophenyl)-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914776
N-[4-[(1-ethylpyrazol-4-yl)methyl-methylsulfamoyl]phenyl]acetamide
CID 22204152
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 47083103
N,N-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 47439855
N-[4-[ethyl-[(1-methylpyrazol-4-yl)methyl]sulfamoyl]phenyl]acetamide
CID 47812992
3-fluoro-4-(4-methyl-1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 71756060
N-(3-methylbutyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 90680510

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate?
The IUPAC name of tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate (CID 58292272) is tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate.
What is the SMILES notation for tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate?
The canonical SMILES for tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate is CC(C)(C)OC(=O)NS(=O)(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate?
The InChIKey is XSPGAUBTRUIHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-14(2,3)21-13(18)16-22(19,20)12-7-5-11(6-8-12)17-10-4-9-15-17/h4-10H,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate?
tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate has a molecular weight of 323.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-pyrazol-1-ylphenyl)sulfonylcarbamate is sourced from PubChem (CID 58292272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).