2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide

C13H15FN4O3S — CID 112997690

IUPAC2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H15FN4O3S/c1-8-13(9(2)18-17-8)22(20,21)15-7-12(19)16-11-6-4-3-5-10(11)14/h3-6,15H,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZLWLCLPAMXVIHS-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.08
Rot. Bonds5

About 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide

2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide (PubChem CID 112997690) has the molecular formula C13H15FN4O3S and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
PubChem CID112997690
Molecular FormulaC13H15FN4O3S
Molecular Weight326.35 g/mol
Exact Mass326.08
IUPAC Name2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccccc1F
InChIInChI=1S/C13H15FN4O3S/c1-8-13(9(2)18-17-8)22(20,21)15-7-12(19)16-11-6-4-3-5-10(11)14/h3-6,15H,7H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZLWLCLPAMXVIHS-UHFFFAOYSA-N
XLogP1.08
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetamide
CID 112996749
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 112999052
ethyl 2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]acetyl]amino]benzoate
CID 113001785
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 772291
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993039
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N,N-dimethylacetamide
CID 43215038
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(4-fluorophenyl)acetamide
CID 108570983
N-(2,4-difluorophenyl)-2-[(2,6-difluorophenyl)sulfonylamino]acetamide
CID 9164959
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
N-(2-fluorophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26584303
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110335622

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide (CID 112997690) is 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide is Cc1n[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide?
The InChIKey is ZLWLCLPAMXVIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O3S/c1-8-13(9(2)18-17-8)22(20,21)15-7-12(19)16-11-6-4-3-5-10(11)14/h3-6,15H,7H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide?
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 112997690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).