N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide

C8H12N4O2S — CID 61123860

IUPACN-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H12N4O2S/c1-2-3-7(4-9)12-15(13,14)8-5-10-11-6-8/h5-7,12H,2-3H2,1H3,(H,10,11)
InChIKeyYNWIIGWXBGDPAM-UHFFFAOYSA-N
MW228.28 g/mol
LogP0.38
Rot. Bonds5

About N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide

N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61123860) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide
PubChem CID61123860
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H12N4O2S/c1-2-3-7(4-9)12-15(13,14)8-5-10-11-6-8/h5-7,12H,2-3H2,1H3,(H,10,11)
InChIKeyYNWIIGWXBGDPAM-UHFFFAOYSA-N
XLogP0.38
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-pent-1-yn-3-yl-1H-pyrazole-4-sulfonamide
CID 106898738
4-bromo-N-(1-cyanobutyl)benzenesulfonamide
CID 61123069
N-(1-cyanobutyl)-4-nitrobenzenesulfonamide
CID 61122661
N-(1-methylsulfanylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 115899543
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
N-[2-(2-bromoethyl)pentyl]-1H-pyrazole-4-sulfonamide
CID 106118415
N-(1-chloro-3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 79267207
5-cyano-N-(1-cyanobutyl)thiophene-2-sulfonamide
CID 106266731
N-(1-cyanobutyl)ethanesulfonamide
CID 61125057
N-(1-cyanobutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 61124454
N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide
CID 61124655
N-(1-cyanobutyl)-1-methylimidazole-4-sulfonamide
CID 62374956

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide (CID 61123860) is N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide is CCCC(C#N)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YNWIIGWXBGDPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-2-3-7(4-9)12-15(13,14)8-5-10-11-6-8/h5-7,12H,2-3H2,1H3,(H,10,11).
What are the key properties of N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide?
N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 228.28 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61123860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).