3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide

C15H15ClN2O4S2 — CID 90481162

IUPAC3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O4S2/c1-11-2-7-14(24(17,21)22)10-15(11)18-23(19,20)9-8-12-3-5-13(16)6-4-12/h2-10,18H,1H3,(H2,17,21,22)/b9-8+
InChIKeyJVAFVUTXGSWERZ-CMDGGOBGSA-N
MW386.88 g/mol
LogP2.71
Rot. Bonds5

About 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide

3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide (PubChem CID 90481162) has the molecular formula C15H15ClN2O4S2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide
PubChem CID90481162
Molecular FormulaC15H15ClN2O4S2
Molecular Weight386.88 g/mol
Exact Mass386.02
IUPAC Name3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O4S2/c1-11-2-7-14(24(17,21)22)10-15(11)18-23(19,20)9-8-12-3-5-13(16)6-4-12/h2-10,18H,1H3,(H2,17,21,22)/b9-8+
InChIKeyJVAFVUTXGSWERZ-CMDGGOBGSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide (CID 90481162) is 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide?
The InChIKey is JVAFVUTXGSWERZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15ClN2O4S2/c1-11-2-7-14(24(17,21)22)10-15(11)18-23(19,20)9-8-12-3-5-13(16)6-4-12/h2-10,18H,1H3,(H2,17,21,22)/b9-8+.
What are the key properties of 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide?
3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide has a molecular weight of 386.88 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 90481162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).