N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide

C13H14N4O2S — CID 60910953

IUPACN-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C13H14N4O2S/c1-11-13(10-15-16-11)20(18,19)17(9-5-8-14)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3,(H,15,16)
InChIKeyJTMDIAPCSJFYFK-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.83
Rot. Bonds5

About N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide

N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide (PubChem CID 60910953) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide
PubChem CID60910953
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C13H14N4O2S/c1-11-13(10-15-16-11)20(18,19)17(9-5-8-14)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3,(H,15,16)
InChIKeyJTMDIAPCSJFYFK-UHFFFAOYSA-N
XLogP1.83
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-5-methyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 54944620
N-(2-cyanoethyl)-2-methyl-N-phenyl-1,3-thiazole-5-sulfonamide
CID 103847451
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60912336
N-(3-aminopropyl)-N-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912475
N-(4-aminophenyl)-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 63233869
3,5-dichloro-N-(2-cyanoethyl)-2-hydroxy-N-phenylbenzenesulfonamide
CID 4987406
2-[4-hydroxy-N-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]anilino]acetic acid
CID 60910822
N-(2-cyanoethyl)-4-iodo-N-phenylbenzenesulfonamide
CID 3721933
2-chloro-N-(2-cyanoethyl)-N-phenyl-1,3-thiazole-5-sulfonamide
CID 43455903
N,N-bis(2-hydroxyethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60960308
N-(2-cyanoethyl)-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethanesulfonamide
CID 30056480
N-(2-cyanoethyl)-N-phenyl-2-propan-2-yloxyethanesulfonamide
CID 79593944

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide (CID 60910953) is N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JTMDIAPCSJFYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-11-13(10-15-16-11)20(18,19)17(9-5-8-14)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3,(H,15,16).
What are the key properties of N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide?
N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide has a molecular weight of 290.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-5-methyl-N-phenyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60910953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).