N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide

C13H14ClFN4O3S — CID 55895951

IUPACN-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C13H14ClFN4O3S/c1-7-12(13(14)19(3)17-7)23(21,22)18-11-6-9(16-8(2)20)4-5-10(11)15/h4-6,18H,1-3H3,(H,16,20)
InChIKeyANFVWWQXXHCGPJ-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.28
Rot. Bonds4

About N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide

N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide (PubChem CID 55895951) has the molecular formula C13H14ClFN4O3S and a molecular weight of 360.80 g/mol. Its IUPAC name is N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide
PubChem CID55895951
Molecular FormulaC13H14ClFN4O3S
Molecular Weight360.80 g/mol
Exact Mass360.05
IUPAC NameN-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C13H14ClFN4O3S/c1-7-12(13(14)19(3)17-7)23(21,22)18-11-6-9(16-8(2)20)4-5-10(11)15/h4-6,18H,1-3H3,(H,16,20)
InChIKeyANFVWWQXXHCGPJ-UHFFFAOYSA-N
XLogP2.28
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea
CID 55731026
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3854841
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
5-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 5193021
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610
N-(4-tert-butyl-2-chlorophenyl)-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3666126
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide
CID 61061547
5-chloro-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3689918

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide (CID 55895951) is N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2c(C)nn(C)c2Cl)c1.
What is the InChIKey of N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide?
The InChIKey is ANFVWWQXXHCGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O3S/c1-7-12(13(14)19(3)17-7)23(21,22)18-11-6-9(16-8(2)20)4-5-10(11)15/h4-6,18H,1-3H3,(H,16,20).
What are the key properties of N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide?
N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide has a molecular weight of 360.80 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 55895951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).