N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide

C11H11F3N4O2S — CID 79531474

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESNc1[nH]ncc1CNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3N4O2S/c12-11(13,14)8-3-1-2-4-9(8)21(19,20)17-6-7-5-16-18-10(7)15/h1-5,17H,6H2,(H3,15,16,18)
InChIKeyQJDQKBIDZYCODV-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.49
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 79531474) has the molecular formula C11H11F3N4O2S and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID79531474
Molecular FormulaC11H11F3N4O2S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESNc1[nH]ncc1CNS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C11H11F3N4O2S/c12-11(13,14)8-3-1-2-4-9(8)21(19,20)17-6-7-5-16-18-10(7)15/h1-5,17H,6H2,(H3,15,16,18)
InChIKeyQJDQKBIDZYCODV-UHFFFAOYSA-N
XLogP1.49
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide
CID 79531198
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 79530004
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79531355
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 79530915
N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
CID 79530165
2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3855876
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 79529534
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114694184
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyano-2-methylbenzenesulfonamide
CID 79529225

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 79531474) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide is Nc1[nH]ncc1CNS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QJDQKBIDZYCODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S/c12-11(13,14)8-3-1-2-4-9(8)21(19,20)17-6-7-5-16-18-10(7)15/h1-5,17H,6H2,(H3,15,16,18).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 320.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 79531474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).