N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

C18H17FN4O4S — CID 53115664

IUPACN-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H17FN4O4S/c1-27-14-8-6-13(7-9-14)23-28(25,26)18-15(11-21-22-18)17(24)20-10-12-4-2-3-5-16(12)19/h2-9,11,23H,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyOHDJVALDJQCRJY-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.29
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (PubChem CID 53115664) has the molecular formula C18H17FN4O4S and a molecular weight of 404.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
PubChem CID53115664
Molecular FormulaC18H17FN4O4S
Molecular Weight404.42 g/mol
Exact Mass404.10
IUPAC NameN-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C18H17FN4O4S/c1-27-14-8-6-13(7-9-14)23-28(25,26)18-15(11-21-22-18)17(24)20-10-12-4-2-3-5-16(12)19/h2-9,11,23H,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyOHDJVALDJQCRJY-UHFFFAOYSA-N
XLogP2.29
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115660
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115672
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
CID 53115536
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 171146148
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
N-[2-[(2-fluorobenzoyl)amino]ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55975460
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27163581
N-[(2,3-difluorophenyl)methyl]-2-[(5-methoxy-3-pyridinyl)sulfamoyl]benzamide
CID 58924343

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (CID 53115664) is N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is COc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OHDJVALDJQCRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4S/c1-27-14-8-6-13(7-9-14)23-28(25,26)18-15(11-21-22-18)17(24)20-10-12-4-2-3-5-16(12)19/h2-9,11,23H,10H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).