N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

C11H12ClFN4O2S — CID 106030354

IUPACN-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C11H12ClFN4O2S/c1-14-5-7-6-15-16-11(7)20(18,19)17-10-4-8(12)2-3-9(10)13/h2-4,6,14,17H,5H2,1H3,(H,15,16)
InChIKeyJDVGBZITMPMZOA-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.72
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide

N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106030354) has the molecular formula C11H12ClFN4O2S and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106030354
Molecular FormulaC11H12ClFN4O2S
Molecular Weight318.76 g/mol
Exact Mass318.04
IUPAC NameN-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C11H12ClFN4O2S/c1-14-5-7-6-15-16-11(7)20(18,19)17-10-4-8(12)2-3-9(10)13/h2-4,6,14,17H,5H2,1H3,(H,15,16)
InChIKeyJDVGBZITMPMZOA-UHFFFAOYSA-N
XLogP1.72
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-3-chloro-2-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539731
N-(4-chloro-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 47363935
5-(anilinosulfonyl)-N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 53115443
N-(3-Chlorophenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115591
3-chloro-2-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896343
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896390
4-chloro-2-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896487
2-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 54896818
N-(5-chloro-2-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929547
N-(2-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54929649
N-(2-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929680
N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 54929695

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide (CID 106030354) is N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is JDVGBZITMPMZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4O2S/c1-14-5-7-6-15-16-11(7)20(18,19)17-10-4-8(12)2-3-9(10)13/h2-4,6,14,17H,5H2,1H3,(H,15,16).
What are the key properties of N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide?
N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 318.76 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106030354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).