N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C14H14N4O2S — CID 126833471

IUPACN-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESN#Cc1[nH]ncc1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H14N4O2S/c15-8-13-14(9-16-17-13)18-21(19,20)12-6-5-10-3-1-2-4-11(10)7-12/h5-7,9,18H,1-4H2,(H,16,17)
InChIKeyJHCSGWUYULRRMC-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.96
Rot. Bonds3

About N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 126833471) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID126833471
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESN#Cc1[nH]ncc1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H14N4O2S/c15-8-13-14(9-16-17-13)18-21(19,20)12-6-5-10-3-1-2-4-11(10)7-12/h5-7,9,18H,1-4H2,(H,16,17)
InChIKeyJHCSGWUYULRRMC-UHFFFAOYSA-N
XLogP1.96
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazole, 4-amino-5-(o-tolyl)-, p-toluenesulfonate
CID 24844194
3-cyano-N-(1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 43532756
N-(5-phenyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 155009376
Sulfanilamido-phenyl-pyrazol
CID 53634571
3-cyano-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 63288126
3-cyano-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 63288202
3-cyano-4-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 63288203
2-cyano-3-fluoro-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 64130117
4-methyl-N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 75393084
2,5-difluoro-4-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 75393102
2,4-difluoro-5-methyl-N-(5-methyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 75393105
N'-{(Z)-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}naphthalene-2-sulfonohydrazide
CID 135624643

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 126833471) is N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is N#Cc1[nH]ncc1NS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is JHCSGWUYULRRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-8-13-14(9-16-17-13)18-21(19,20)12-6-5-10-3-1-2-4-11(10)7-12/h5-7,9,18H,1-4H2,(H,16,17).
What are the key properties of N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1H-pyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 126833471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).