N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

C12H14FN3O2S — CID 19584272

IUPACN-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2S/c1-9-12(8-16(2)15-9)19(17,18)14-7-10-3-5-11(13)6-4-10/h3-6,8,14H,7H2,1-2H3
InChIKeyDNYMMKXOMLCTFK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.35
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 19584272) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID19584272
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC NameN-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C12H14FN3O2S/c1-9-12(8-16(2)15-9)19(17,18)14-7-10-3-5-11(13)6-4-10/h3-6,8,14H,7H2,1-2H3
InChIKeyDNYMMKXOMLCTFK-UHFFFAOYSA-N
XLogP1.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 42282271
1,3-dimethyl-N-(quinolin-3-ylmethyl)pyrazole-4-sulfonamide
CID 16673858
3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925
N-[4-(4-fluorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 16676255
1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681194
N-(4-ethylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 22773854
N-benzyl-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283268
1,3-dimethyl-N-undecylpyrazole-4-sulfonamide
CID 19681469
1,3-dimethyl-N-octylpyrazole-4-sulfonamide
CID 19681357
N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
CID 19681255
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
1-benzyl-N-[2-(4-fluorophenyl)ethyl]-3-methylpyrazole-4-sulfonamide
CID 42283116

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 19584272) is N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is DNYMMKXOMLCTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-9-12(8-16(2)15-9)19(17,18)14-7-10-3-5-11(13)6-4-10/h3-6,8,14H,7H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.35, 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]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19584272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).