N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide

C15H15ClN2O3S — CID 2228687

IUPACN-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O3S/c1-11(19)17-14-3-2-4-15(9-14)18-22(20,21)10-12-5-7-13(16)8-6-12/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyFWCAJQDRXGSOLL-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.24
Rot. Bonds5

About N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide

N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide (PubChem CID 2228687) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide
PubChem CID2228687
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC NameN-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O3S/c1-11(19)17-14-3-2-4-15(9-14)18-22(20,21)10-12-5-7-13(16)8-6-12/h2-9,18H,10H2,1H3,(H,17,19)
InChIKeyFWCAJQDRXGSOLL-UHFFFAOYSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide (CID 2228687) is N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide?
The InChIKey is FWCAJQDRXGSOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-11(19)17-14-3-2-4-15(9-14)18-22(20,21)10-12-5-7-13(16)8-6-12/h2-9,18H,10H2,1H3,(H,17,19).
What are the key properties of N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide?
N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide has a molecular weight of 338.82 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methylsulfonylamino]phenyl]acetamide is sourced from PubChem (CID 2228687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).