N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide

C18H17FN4O3S — CID 22204838

IUPACN-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3F)c2)cc1
InChIInChI=1S/C18H17FN4O3S/c1-13(24)21-15-6-8-17(9-7-15)27(25,26)22-16-10-20-23(12-16)11-14-4-2-3-5-18(14)19/h2-10,12,22H,11H2,1H3,(H,21,24)
InChIKeyJAEBTCVRYYANRP-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.83
Rot. Bonds6

About N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide (PubChem CID 22204838) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide
PubChem CID22204838
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC NameN-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3F)c2)cc1
InChIInChI=1S/C18H17FN4O3S/c1-13(24)21-15-6-8-17(9-7-15)27(25,26)22-16-10-20-23(12-16)11-14-4-2-3-5-18(14)19/h2-10,12,22H,11H2,1H3,(H,21,24)
InChIKeyJAEBTCVRYYANRP-UHFFFAOYSA-N
XLogP2.83
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Rgfp966
CID 56650312
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide
CID 122179030
1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
N-(2-amino-4-fluorophenyl)-3-[1-(3-phenylprop-2-enyl)-4-pyrazolyl]-2-propenamide
CID 68294530
N-benzyl-4-(1H-pyrazol-1-yl)benzenesulfonamide
CID 20914812
2-(5-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (12)
CID 86766211
2-(5-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (16)
CID 86766215
N~1~-(4-fluoro-2-methylphenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 16022103
N-[(4-Fluorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914802
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601
N-(2-methylphenyl)-4-(1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 20914788

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide (CID 22204838) is N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3F)c2)cc1.
What is the InChIKey of N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is JAEBTCVRYYANRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-13(24)21-15-6-8-17(9-7-15)27(25,26)22-16-10-20-23(12-16)11-14-4-2-3-5-18(14)19/h2-10,12,22H,11H2,1H3,(H,21,24).
What are the key properties of N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 388.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22204838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).