N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide

C10H11FN4O2S — CID 79530004

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
SMILESNc1[nH]ncc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN4O2S/c11-8-1-3-9(4-2-8)18(16,17)14-6-7-5-13-15-10(7)12/h1-5,14H,6H2,(H3,12,13,15)
InChIKeyFLALIFPGAMNOPD-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.61
Rot. Bonds4

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 79530004) has the molecular formula C10H11FN4O2S and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID79530004
Molecular FormulaC10H11FN4O2S
Molecular Weight270.29 g/mol
Exact Mass270.06
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
SMILESNc1[nH]ncc1CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FN4O2S/c11-8-1-3-9(4-2-8)18(16,17)14-6-7-5-13-15-10(7)12/h1-5,14H,6H2,(H3,12,13,15)
InChIKeyFLALIFPGAMNOPD-UHFFFAOYSA-N
XLogP0.61
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-amino-1H-pyrazol-4-yl)methyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844889
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-bromo-3-methylbenzenesulfonamide
CID 79531351
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 79530011
N-[(5-amino-1H-pyrazol-4-yl)methyl]methanesulfonamide
CID 79530915
N-[(5-amino-1H-pyrazol-4-yl)methyl]ethanesulfonamide
CID 79530165
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorobenzenesulfonamide
CID 79531198
N-[(5-amino-1H-pyrazol-4-yl)methyl]-5-cyanothiophene-2-sulfonamide
CID 106272939
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 79531474
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methylsulfonylethanesulfonamide
CID 79530161
6-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 62151905
N-[(4-aminophenyl)methyl]-4-fluorobenzenesulfonamide
CID 39380215
N-[(5-amino-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 79531355

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide (CID 79530004) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide is Nc1[nH]ncc1CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is FLALIFPGAMNOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O2S/c11-8-1-3-9(4-2-8)18(16,17)14-6-7-5-13-15-10(7)12/h1-5,14H,6H2,(H3,12,13,15).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 270.29 g/mol, XLogP of 0.61, 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]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 79530004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).