N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide

C19H17FI2N4O3S — CID 170342228

IUPACN-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(C)(F)I)c2)c(I)c1
InChIInChI=1S/C19H17FI2N4O3S/c1-19(20,22)12-4-3-5-14(10-12)25-30(28,29)17-7-6-13(11-15(17)21)24-18(27)16-8-9-23-26(16)2/h3-11,25H,1-2H3,(H,24,27)
InChIKeyUSHRWXVMVVGUFU-UHFFFAOYSA-N
MW654.24 g/mol
LogP4.66
Rot. Bonds6

About N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide

N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide (PubChem CID 170342228) has the molecular formula C19H17FI2N4O3S and a molecular weight of 654.24 g/mol. Its IUPAC name is N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide
PubChem CID170342228
Molecular FormulaC19H17FI2N4O3S
Molecular Weight654.24 g/mol
Exact Mass653.91
IUPAC NameN-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(C)(F)I)c2)c(I)c1
InChIInChI=1S/C19H17FI2N4O3S/c1-19(20,22)12-4-3-5-14(10-12)25-30(28,29)17-7-6-13(11-15(17)21)24-18(27)16-8-9-23-26(16)2/h3-11,25H,1-2H3,(H,24,27)
InChIKeyUSHRWXVMVVGUFU-UHFFFAOYSA-N
XLogP4.66
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.24
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 170341252
N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 169307765
N-[4-[[3-(dimethylamino)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 169307975
N-[3-methoxy-2-methyl-4-[[3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 169307844
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,2-oxazole-5-carboxamide
CID 169307992
N-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 169308128
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 169307872
N-[3-fluoro-4-[[3-(1-fluoro-1-phosphanylethoxy)phenyl]sulfamoyl]-5-methylphenyl]-2-methylpyrazole-3-carboxamide
CID 170347026
N-[3-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22202614
N-[3-methyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 169307902
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
N-[4-[[3-(1,1-difluoroethyl)phenyl]sulfamoyl]-3-methylphenyl]-2-methylpyridine-3-carboxamide
CID 170343075

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide (CID 170342228) is N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(C)(F)I)c2)c(I)c1.
What is the InChIKey of N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is USHRWXVMVVGUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FI2N4O3S/c1-19(20,22)12-4-3-5-14(10-12)25-30(28,29)17-7-6-13(11-15(17)21)24-18(27)16-8-9-23-26(16)2/h3-11,25H,1-2H3,(H,24,27).
What are the key properties of N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide?
N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 654.24 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1-fluoro-1-iodoethyl)phenyl]sulfamoyl]-3-iodophenyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 170342228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).