(E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide

C23H18N2O2S2 — CID 122286209

IUPAC(E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H18N2O2S2/c26-29(27,15-14-18-8-3-1-4-9-18)25-21-13-7-12-20(16-21)22-17-28-23(24-22)19-10-5-2-6-11-19/h1-17,25H/b15-14+
InChIKeyFKNLCQFBNRBTDT-CCEZHUSRSA-N
MW418.54 g/mol
LogP5.89
Rot. Bonds6

About (E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide

(E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide (PubChem CID 122286209) has the molecular formula C23H18N2O2S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide
PubChem CID122286209
Molecular FormulaC23H18N2O2S2
Molecular Weight418.54 g/mol
Exact Mass418.08
IUPAC Name(E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H18N2O2S2/c26-29(27,15-14-18-8-3-1-4-9-18)25-21-13-7-12-20(16-21)22-17-28-23(24-22)19-10-5-2-6-11-19/h1-17,25H/b15-14+
InChIKeyFKNLCQFBNRBTDT-CCEZHUSRSA-N
XLogP5.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
CID 122286241
1,2-dimethyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286251
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
(E)-2-phenyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]ethenesulfonamide
CID 73168633
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
5-chloro-2-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286211
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate
CID 4741044
4-methyl-3,5-dinitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 46497692
(E)-N-[3-(3,4-dihydroisoquinolin-1-yl)phenyl]-2-phenylethenesulfonamide
CID 22640485
N-[4-[2-[[(E)-2-phenylethenyl]sulfonylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 8504630

Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide (CID 122286209) is (E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)Nc1cccc(-c2csc(-c3ccccc3)n2)c1.
What is the InChIKey of (E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide?
The InChIKey is FKNLCQFBNRBTDT-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H18N2O2S2/c26-29(27,15-14-18-8-3-1-4-9-18)25-21-13-7-12-20(16-21)22-17-28-23(24-22)19-10-5-2-6-11-19/h1-17,25H/b15-14+.
What are the key properties of (E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide?
(E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide has a molecular weight of 418.54 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethenesulfonamide is sourced from PubChem (CID 122286209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).