N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide

C15H18F2N4O2S — CID 120722431

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESNc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C15H18F2N4O2S/c16-15(17)9-21-8-12(7-19-21)24(22,23)20-14-3-1-2-10-6-11(18)4-5-13(10)14/h4-8,14-15,20H,1-3,9,18H2
InChIKeyPMDUOIGKIWTSQP-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.09
Rot. Bonds5

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide (PubChem CID 120722431) has the molecular formula C15H18F2N4O2S and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
PubChem CID120722431
Molecular FormulaC15H18F2N4O2S
Molecular Weight356.40 g/mol
Exact Mass356.11
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
SMILESNc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C15H18F2N4O2S/c16-15(17)9-21-8-12(7-19-21)24(22,23)20-14-3-1-2-10-6-11(18)4-5-13(10)14/h4-8,14-15,20H,1-3,9,18H2
InChIKeyPMDUOIGKIWTSQP-UHFFFAOYSA-N
XLogP2.09
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1510182
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-(2,3-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 16022076
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-(2-butan-2-ylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6464746
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 57471318
N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 57471324
N-[(7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 57471330
N-[[7-(ethylamino)-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 57487140
N-(3,4-Dimethylphenyl)-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914795
4-[3-(Dimethylsulfamoylamino)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 166565612

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide (CID 120722431) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide is Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnn(CC(F)F)c1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is PMDUOIGKIWTSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2S/c16-15(17)9-21-8-12(7-19-21)24(22,23)20-14-3-1-2-10-6-11(18)4-5-13(10)14/h4-8,14-15,20H,1-3,9,18H2.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 356.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120722431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).