N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide

C19H19FN4O4S — CID 75404736

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1
InChIInChI=1S/C19H19FN4O4S/c1-11-8-12(2)24(23-11)17-6-4-13(9-16(17)20)22-19(25)15-10-14(29(21,26)27)5-7-18(15)28-3/h4-10H,1-3H3,(H,22,25)(H2,21,26,27)
InChIKeyVDPXOUXVLFYADE-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.54
Rot. Bonds5

About N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide (PubChem CID 75404736) has the molecular formula C19H19FN4O4S and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide
PubChem CID75404736
Molecular FormulaC19H19FN4O4S
Molecular Weight418.45 g/mol
Exact Mass418.11
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide
SMILESCOc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1
InChIInChI=1S/C19H19FN4O4S/c1-11-8-12(2)24(23-11)17-6-4-13(9-16(17)20)22-19(25)15-10-14(29(21,26)27)5-7-18(15)28-3/h4-10H,1-3H3,(H,22,25)(H2,21,26,27)
InChIKeyVDPXOUXVLFYADE-UHFFFAOYSA-N
XLogP2.54
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide 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-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 55991390
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55892651
N-(3,4-dichlorophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 4793034
N-(3-chloro-4-methoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7479079
N-(4-bromophenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7964867
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 35606335
methyl 5-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 55891890
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
2-methoxy-N-(3-methoxyphenyl)-5-sulfamoylbenzamide
CID 27167646
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 55471494
ethyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 4851180
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide (CID 75404736) is N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide is COc1ccc(S(N)(=O)=O)cc1C(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide?
The InChIKey is VDPXOUXVLFYADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4S/c1-11-8-12(2)24(23-11)17-6-4-13(9-16(17)20)22-19(25)15-10-14(29(21,26)27)5-7-18(15)28-3/h4-10H,1-3H3,(H,22,25)(H2,21,26,27).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide?
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide has a molecular weight of 418.45 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-methoxy-5-sulfamoylbenzamide is sourced from PubChem (CID 75404736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).