2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride

C14H11ClFNO3S — CID 116814199

IUPAC2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride
SMILESO=C(Cc1ccccc1Cl)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C14H11ClFNO3S/c15-11-6-2-1-5-10(11)9-14(18)17-12-7-3-4-8-13(12)21(16,19)20/h1-8H,9H2,(H,17,18)
InChIKeyBPHOGOANRQKGKY-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.18
Rot. Bonds4

About 2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride

2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride (PubChem CID 116814199) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride
PubChem CID116814199
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC Name2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride
SMILESO=C(Cc1ccccc1Cl)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C14H11ClFNO3S/c15-11-6-2-1-5-10(11)9-14(18)17-12-7-3-4-8-13(12)21(16,19)20/h1-8H,9H2,(H,17,18)
InChIKeyBPHOGOANRQKGKY-UHFFFAOYSA-N
XLogP3.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-(2-phenylphenyl)acetamide
CID 26727185
2-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 17296977
2-[(2-pyridin-3-ylacetyl)amino]benzenesulfonyl fluoride
CID 116814254
N-(2-benzoylphenyl)-2-(2-chlorophenyl)acetamide
CID 100633810
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
2-(2-chlorophenyl)-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103098029
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
2-(2-chlorophenyl)-N-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide
CID 43106968
2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride
CID 103213870
2-(2-chlorophenyl)-N-(3-fluoro-4-pyridinyl)acetamide
CID 122156122
N-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923717
2-(cyclobutanecarbonylamino)benzenesulfonyl fluoride
CID 116814067

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride?
The IUPAC name of 2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride (CID 116814199) is 2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride?
The canonical SMILES for 2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride is O=C(Cc1ccccc1Cl)Nc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride?
The InChIKey is BPHOGOANRQKGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c15-11-6-2-1-5-10(11)9-14(18)17-12-7-3-4-8-13(12)21(16,19)20/h1-8H,9H2,(H,17,18).
What are the key properties of 2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride?
2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride has a molecular weight of 327.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)acetyl]amino]benzenesulfonyl fluoride is sourced from PubChem (CID 116814199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).