2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide

C15H13ClFNO3S — CID 34381808

IUPAC2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1F
InChIInChI=1S/C15H13ClFNO3S/c16-12-5-7-13(8-6-12)22(20,21)10-15(19)18-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,18,19)
InChIKeyCZINCZDLKDOOBX-UHFFFAOYSA-N
MW341.79 g/mol
LogP2.57
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 34381808) has the molecular formula C15H13ClFNO3S and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID34381808
Molecular FormulaC15H13ClFNO3S
Molecular Weight341.79 g/mol
Exact Mass341.03
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1F
InChIInChI=1S/C15H13ClFNO3S/c16-12-5-7-13(8-6-12)22(20,21)10-15(19)18-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,18,19)
InChIKeyCZINCZDLKDOOBX-UHFFFAOYSA-N
XLogP2.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfonyl-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
CID 24614465
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50981009
N'-[2-(4-chlorophenyl)sulfonylacetyl]benzohydrazide
CID 51193950
2-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)acetamide
CID 24655866
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 24617701
2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
N-[(2-fluorophenyl)methyl]-3-(2-fluorophenyl)sulfonylpropanamide
CID 17420018
2-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 34450269
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 119630251

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide (CID 34381808) is 2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1F.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is CZINCZDLKDOOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO3S/c16-12-5-7-13(8-6-12)22(20,21)10-15(19)18-9-11-3-1-2-4-14(11)17/h1-8H,9-10H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 341.79 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 34381808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).