N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide

C13H16FN3O2S — CID 71688302

IUPACN-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C13H16FN3O2S/c1-10(2)17-9-12(8-15-17)20(18,19)16-7-11-5-3-4-6-13(11)14/h3-6,8-10,16H,7H2,1-2H3
InChIKeyNGTASESRASMJLV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.08
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide

N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71688302) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71688302
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC NameN-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2ccccc2F)cn1
InChIInChI=1S/C13H16FN3O2S/c1-10(2)17-9-12(8-15-17)20(18,19)16-7-11-5-3-4-6-13(11)14/h3-6,8-10,16H,7H2,1-2H3
InChIKeyNGTASESRASMJLV-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688417
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688305
N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203173
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 71688277
2-ethyl-N-[(2-fluorophenyl)methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-sulfonamide
CID 53179678
1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 1455204
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
N-[(2-bromophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 62049706
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 71997603

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 71688302) is N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCc2ccccc2F)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is NGTASESRASMJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-10(2)17-9-12(8-15-17)20(18,19)16-7-11-5-3-4-6-13(11)14/h3-6,8-10,16H,7H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).