N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

C18H15BrClFN4O3S — CID 22206138

IUPACN-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Br)cc1
InChIInChI=1S/C18H15BrClFN4O3S/c1-11(26)22-12-5-7-13(8-6-12)29(27,28)24-18-15(19)10-25(23-18)9-14-16(20)3-2-4-17(14)21/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24)
InChIKeyRPTNGLYZAGJCSP-UHFFFAOYSA-N
MW501.77 g/mol
LogP4.25
Rot. Bonds6

About N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 22206138) has the molecular formula C18H15BrClFN4O3S and a molecular weight of 501.77 g/mol. Its IUPAC name is N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID22206138
Molecular FormulaC18H15BrClFN4O3S
Molecular Weight501.77 g/mol
Exact Mass499.97
IUPAC NameN-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Br)cc1
InChIInChI=1S/C18H15BrClFN4O3S/c1-11(26)22-12-5-7-13(8-6-12)29(27,28)24-18-15(19)10-25(23-18)9-14-16(20)3-2-4-17(14)21/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24)
InChIKeyRPTNGLYZAGJCSP-UHFFFAOYSA-N
XLogP4.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.77
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide (CID 22206138) is N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Br)cc1.
What is the InChIKey of N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is RPTNGLYZAGJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFN4O3S/c1-11(26)22-12-5-7-13(8-6-12)29(27,28)24-18-15(19)10-25(23-18)9-14-16(20)3-2-4-17(14)21/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 501.77 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 22206138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).