N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide

C17H15FN4O3S — CID 18128242

IUPACN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C17H15FN4O3S/c1-22-11-12(10-19-22)17(23)20-14-4-6-15(7-5-14)21-26(24,25)16-8-2-13(18)3-9-16/h2-11,21H,1H3,(H,20,23)
InChIKeyBIDVPXWWTGXLPR-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.61
Rot. Bonds5

About N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide

N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 18128242) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID18128242
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C17H15FN4O3S/c1-22-11-12(10-19-22)17(23)20-14-4-6-15(7-5-14)21-26(24,25)16-8-2-13(18)3-9-16/h2-11,21H,1H3,(H,20,23)
InChIKeyBIDVPXWWTGXLPR-UHFFFAOYSA-N
XLogP2.61
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
1-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 9426498
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-4-yl)acetamide
CID 32604191
4-[(4-fluorophenyl)sulfonylamino]-N-pyridin-4-ylbenzamide
CID 18109267
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 86991515
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26667215
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1303974
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575104
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide (CID 18128242) is N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1.
What is the InChIKey of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is BIDVPXWWTGXLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-22-11-12(10-19-22)17(23)20-14-4-6-15(7-5-14)21-26(24,25)16-8-2-13(18)3-9-16/h2-11,21H,1H3,(H,20,23).
What are the key properties of N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide?
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 18128242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).