1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide

C18H19FN4O4S2 — CID 166215188

IUPAC1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1
InChIInChI=1S/C18H19FN4O4S2/c1-13(14-6-5-7-15(10-14)28(24,25)20-2)22-29(26,27)16-11-21-23(12-16)18-9-4-3-8-17(18)19/h3-13,20,22H,1-2H3
InChIKeyVQVZMYQXZRBWKE-UHFFFAOYSA-N
MW438.51 g/mol
LogP1.96
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide

1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide (PubChem CID 166215188) has the molecular formula C18H19FN4O4S2 and a molecular weight of 438.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide
PubChem CID166215188
Molecular FormulaC18H19FN4O4S2
Molecular Weight438.51 g/mol
Exact Mass438.08
IUPAC Name1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cccc(C(C)NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1
InChIInChI=1S/C18H19FN4O4S2/c1-13(14-6-5-7-15(10-14)28(24,25)20-2)22-29(26,27)16-11-21-23(12-16)18-9-4-3-8-17(18)19/h3-13,20,22H,1-2H3
InChIKeyVQVZMYQXZRBWKE-UHFFFAOYSA-N
XLogP1.96
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 55903082
N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 97231398
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
CID 119983754
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride
CID 119983753
2-chloro-4-(difluoromethyl)-N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonylbenzamide
CID 166365928
1-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 95348121
1-propan-2-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 71997603
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
CID 97337885
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide (CID 166215188) is 1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide is CNS(=O)(=O)c1cccc(C(C)NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is VQVZMYQXZRBWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S2/c1-13(14-6-5-7-15(10-14)28(24,25)20-2)22-29(26,27)16-11-21-23(12-16)18-9-4-3-8-17(18)19/h3-13,20,22H,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide?
1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 438.51 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 166215188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).