N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C21H17ClFN5O3S — CID 156859988

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1-n1cccc1
InChIInChI=1S/C21H17ClFN5O3S/c1-27-21(28-10-2-3-11-28)17(13-24-27)20(29)25-16-8-9-18(23)19(12-16)32(30,31)26-15-6-4-14(22)5-7-15/h2-13,26H,1H3,(H,25,29)
InChIKeyHDASSSAXFCLOAH-UHFFFAOYSA-N
MW473.92 g/mol
LogP4.06
Rot. Bonds6

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 156859988) has the molecular formula C21H17ClFN5O3S and a molecular weight of 473.92 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID156859988
Molecular FormulaC21H17ClFN5O3S
Molecular Weight473.92 g/mol
Exact Mass473.07
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1-n1cccc1
InChIInChI=1S/C21H17ClFN5O3S/c1-27-21(28-10-2-3-11-28)17(13-24-27)20(29)25-16-8-9-18(23)19(12-16)32(30,31)26-15-6-4-14(22)5-7-15/h2-13,26H,1H3,(H,25,29)
InChIKeyHDASSSAXFCLOAH-UHFFFAOYSA-N
XLogP4.06
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 156859988) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1-n1cccc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is HDASSSAXFCLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O3S/c1-27-21(28-10-2-3-11-28)17(13-24-27)20(29)25-16-8-9-18(23)19(12-16)32(30,31)26-15-6-4-14(22)5-7-15/h2-13,26H,1H3,(H,25,29).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 156859988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).