2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide

C15H14ClFN2O4S2 — CID 68779942

IUPAC2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide
SMILESCC(=Cc1ccc(Cl)cc1)S(=O)(=O)Nc1c(F)cccc1S(N)(=O)=O
InChIInChI=1S/C15H14ClFN2O4S2/c1-10(9-11-5-7-12(16)8-6-11)25(22,23)19-15-13(17)3-2-4-14(15)24(18,20)21/h2-9,19H,1H3,(H2,18,20,21)
InChIKeySWPNMXLELMPZFB-UHFFFAOYSA-N
MW404.87 g/mol
LogP2.93
Rot. Bonds5

About 2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide

2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide (PubChem CID 68779942) has the molecular formula C15H14ClFN2O4S2 and a molecular weight of 404.87 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide
PubChem CID68779942
Molecular FormulaC15H14ClFN2O4S2
Molecular Weight404.87 g/mol
Exact Mass404.01
IUPAC Name2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide
SMILESCC(=Cc1ccc(Cl)cc1)S(=O)(=O)Nc1c(F)cccc1S(N)(=O)=O
InChIInChI=1S/C15H14ClFN2O4S2/c1-10(9-11-5-7-12(16)8-6-11)25(22,23)19-15-13(17)3-2-4-14(15)24(18,20)21/h2-9,19H,1H3,(H2,18,20,21)
InChIKeySWPNMXLELMPZFB-UHFFFAOYSA-N
XLogP2.93
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide?
The IUPAC name of 2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide (CID 68779942) is 2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide is CC(=Cc1ccc(Cl)cc1)S(=O)(=O)Nc1c(F)cccc1S(N)(=O)=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide?
The InChIKey is SWPNMXLELMPZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4S2/c1-10(9-11-5-7-12(16)8-6-11)25(22,23)19-15-13(17)3-2-4-14(15)24(18,20)21/h2-9,19H,1H3,(H2,18,20,21).
What are the key properties of 2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide?
2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide has a molecular weight of 404.87 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 68779942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).