N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide

C21H19FN2O3S — CID 992712

IUPACN-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2F)cc1
InChIInChI=1S/C21H19FN2O3S/c1-16(25)23-18-11-13-19(14-12-18)28(26,27)24(15-17-7-3-2-4-8-17)21-10-6-5-9-20(21)22/h2-14H,15H2,1H3,(H,23,25)
InChIKeyDPKSNDGAAMAWMV-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.18
Rot. Bonds6

About N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide

N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 992712) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide
PubChem CID992712
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC NameN-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2F)cc1
InChIInChI=1S/C21H19FN2O3S/c1-16(25)23-18-11-13-19(14-12-18)28(26,27)24(15-17-7-3-2-4-8-17)21-10-6-5-9-20(21)22/h2-14H,15H2,1H3,(H,23,25)
InChIKeyDPKSNDGAAMAWMV-UHFFFAOYSA-N
XLogP4.18
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide (CID 992712) is N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2F)cc1.
What is the InChIKey of N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is DPKSNDGAAMAWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-16(25)23-18-11-13-19(14-12-18)28(26,27)24(15-17-7-3-2-4-8-17)21-10-6-5-9-20(21)22/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide?
N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl-(2-fluorophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 992712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).