N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide

C11H12FN3O2S — CID 19582066

IUPACN-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C11H12FN3O2S/c1-15-8-11(7-13-15)18(16,17)14-6-9-2-4-10(12)5-3-9/h2-5,7-8,14H,6H2,1H3
InChIKeyIVYZELWSVMDJJC-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.04
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide

N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 19582066) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID19582066
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccc(F)cc2)cn1
InChIInChI=1S/C11H12FN3O2S/c1-15-8-11(7-13-15)18(16,17)14-6-9-2-4-10(12)5-3-9/h2-5,7-8,14H,6H2,1H3
InChIKeyIVYZELWSVMDJJC-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 1510476
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
1-methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-pyrrolidin-3-yl)benzylamide
CID 56836106
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
N-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide (CID 19582066) is N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2ccc(F)cc2)cn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is IVYZELWSVMDJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-15-8-11(7-13-15)18(16,17)14-6-9-2-4-10(12)5-3-9/h2-5,7-8,14H,6H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19582066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).