N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

C17H15FN4O4S — CID 53115538

IUPACN-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN4O4S/c1-26-14-7-5-12(6-8-14)22-27(24,25)17-15(10-19-21-17)16(23)20-13-4-2-3-11(18)9-13/h2-10,22H,1H3,(H,19,21)(H,20,23)
InChIKeyBGSBXZXJUVFLSK-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.61
Rot. Bonds6

About N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (PubChem CID 53115538) has the molecular formula C17H15FN4O4S and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
PubChem CID53115538
Molecular FormulaC17H15FN4O4S
Molecular Weight390.40 g/mol
Exact Mass390.08
IUPAC NameN-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C17H15FN4O4S/c1-26-14-7-5-12(6-8-14)22-27(24,25)17-15(10-19-21-17)16(23)20-13-4-2-3-11(18)9-13/h2-10,22H,1H3,(H,19,21)(H,20,23)
InChIKeyBGSBXZXJUVFLSK-UHFFFAOYSA-N
XLogP2.61
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
CID 53115536
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 53115477
N-(4-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115470
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115664
N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115471
N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 171146147
N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115439
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115660
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (CID 53115538) is N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is COc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BGSBXZXJUVFLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O4S/c1-26-14-7-5-12(6-8-14)22-27(24,25)17-15(10-19-21-17)16(23)20-13-4-2-3-11(18)9-13/h2-10,22H,1H3,(H,19,21)(H,20,23).
What are the key properties of N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).