2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide

C15H14ClFN2O4S2 — CID 42645537

IUPAC2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide
SMILESC/C(=C\c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C15H14ClFN2O4S2/c1-10(8-11-2-4-12(16)5-3-11)25(22,23)19-14-7-6-13(17)9-15(14)24(18,20)21/h2-9,19H,1H3,(H2,18,20,21)/b10-8+
InChIKeyKTMTUGUPALZGRR-CSKARUKUSA-N
MW404.87 g/mol
LogP2.93
Rot. Bonds5

About 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide

2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide (PubChem CID 42645537) has the molecular formula C15H14ClFN2O4S2 and a molecular weight of 404.87 g/mol. Its IUPAC name is 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide
PubChem CID42645537
Molecular FormulaC15H14ClFN2O4S2
Molecular Weight404.87 g/mol
Exact Mass404.01
IUPAC Name2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide
SMILESC/C(=C\c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C15H14ClFN2O4S2/c1-10(8-11-2-4-12(16)5-3-11)25(22,23)19-14-7-6-13(17)9-15(14)24(18,20)21/h2-9,19H,1H3,(H2,18,20,21)/b10-8+
InChIKeyKTMTUGUPALZGRR-CSKARUKUSA-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

Analyze 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide (CID 42645537) is 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide is C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(F)cc1S(N)(=O)=O.
What is the InChIKey of 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide?
The InChIKey is KTMTUGUPALZGRR-CSKARUKUSA-N. The full InChI is InChI=1S/C15H14ClFN2O4S2/c1-10(8-11-2-4-12(16)5-3-11)25(22,23)19-14-7-6-13(17)9-15(14)24(18,20)21/h2-9,19H,1H3,(H2,18,20,21)/b10-8+.
What are the key properties of 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide?
2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-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-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 42645537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).