N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide

C8H12N4O2S — CID 102691103

IUPACN-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H12N4O2S/c1-3-8(2,6-9)12-15(13,14)7-4-5-10-11-7/h4-5,12H,3H2,1-2H3,(H,10,11)
InChIKeyMIASOHWTNRNQBU-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.38
Rot. Bonds4

About N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide

N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691103) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102691103
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H12N4O2S/c1-3-8(2,6-9)12-15(13,14)7-4-5-10-11-7/h4-5,12H,3H2,1-2H3,(H,10,11)
InChIKeyMIASOHWTNRNQBU-UHFFFAOYSA-N
XLogP0.38
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanopentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102691104
N-(1-amino-2-methylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102690411
N-(1-cyanopropyl)-1H-pyrazole-5-sulfonamide
CID 102691097
N-(2-cyanobutan-2-yl)-4-methylbenzenesulfonamide
CID 61122906
N-(4-tert-butylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691460
N-(2-methyl-4-phenylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693365
4-cyano-N-(2-cyanobutan-2-yl)-2-methylbenzenesulfonamide
CID 103849897
N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 61124897
N-(4-ethylsulfonylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692588
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693049
N-(4-cyanobutyl)-1H-pyrazole-5-sulfonamide
CID 102691141
N-[4-(methylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102693540

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102691103) is N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide is CCC(C)(C#N)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is MIASOHWTNRNQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-3-8(2,6-9)12-15(13,14)7-4-5-10-11-7/h4-5,12H,3H2,1-2H3,(H,10,11).
What are the key properties of N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide?
N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 228.28 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).