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

C15H15ClN2O4S2 — CID 42645534

IUPAC2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide
SMILESC/C(=C\c1ccc(Cl)cc1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C15H15ClN2O4S2/c1-11(10-12-6-8-13(16)9-7-12)24(21,22)18-14-4-2-3-5-15(14)23(17,19)20/h2-10,18H,1H3,(H2,17,19,20)/b11-10+
InChIKeyRLJRHWYXJQHCIL-ZHACJKMWSA-N
MW386.88 g/mol
LogP2.79
Rot. Bonds5

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

2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide (PubChem CID 42645534) has the molecular formula C15H15ClN2O4S2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide
PubChem CID42645534
Molecular FormulaC15H15ClN2O4S2
Molecular Weight386.88 g/mol
Exact Mass386.02
IUPAC Name2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide
SMILESC/C(=C\c1ccc(Cl)cc1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C15H15ClN2O4S2/c1-11(10-12-6-8-13(16)9-7-12)24(21,22)18-14-4-2-3-5-15(14)23(17,19)20/h2-10,18H,1H3,(H2,17,19,20)/b11-10+
InChIKeyRLJRHWYXJQHCIL-ZHACJKMWSA-N
XLogP2.79
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide?
The IUPAC name of 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide (CID 42645534) is 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide.
What is the SMILES notation for 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide?
The canonical SMILES for 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide is C/C(=C\c1ccc(Cl)cc1)S(=O)(=O)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide?
The InChIKey is RLJRHWYXJQHCIL-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H15ClN2O4S2/c1-11(10-12-6-8-13(16)9-7-12)24(21,22)18-14-4-2-3-5-15(14)23(17,19)20/h2-10,18H,1H3,(H2,17,19,20)/b11-10+.
What are the key properties of 2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide?
2-[[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonylamino]benzenesulfonamide has a molecular weight of 386.88 g/mol, XLogP of 2.79, 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]benzenesulfonamide is sourced from PubChem (CID 42645534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).