(E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide

C25H23N3O2S — CID 123870308

IUPAC(E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide
SMILESCCC(=C(c1ccc(/C=C/S(N)(=O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1
InChIInChI=1S/C25H23N3O2S/c1-2-23(19-6-4-3-5-7-19)25(21-12-13-24-22(16-21)17-27-28-24)20-10-8-18(9-11-20)14-15-31(26,29)30/h3-17H,2H2,1H3,(H,27,28)(H2,26,29,30)/b15-14+,25-23?
InChIKeyJHCLWWJIKXRUDM-VXBPXDQSSA-N
MW429.55 g/mol
LogP5.19
Rot. Bonds6

About (E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide

(E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide (PubChem CID 123870308) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is (E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide
PubChem CID123870308
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name(E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide
SMILESCCC(=C(c1ccc(/C=C/S(N)(=O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1
InChIInChI=1S/C25H23N3O2S/c1-2-23(19-6-4-3-5-7-19)25(21-12-13-24-22(16-21)17-27-28-24)20-10-8-18(9-11-20)14-15-31(26,29)30/h3-17H,2H2,1H3,(H,27,28)(H2,26,29,30)/b15-14+,25-23?
InChIKeyJHCLWWJIKXRUDM-VXBPXDQSSA-N
XLogP5.19
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(Z)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66793318
3-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66793317
ethyl (E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoate
CID 66794771
3-[4-[(E)-2-(4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66793616
3-[4-[(Z)-2-(4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66793617
3-[(E)-2-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenyl]-4H-1,2-oxazole-5-thione
CID 148538481
3-[4-[(E)-1-(1H-indazol-5-yl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66793245
3-[4-[2-[4-(carboxymethyl)phenyl]-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66800011
3-[4-[1-(1H-indazol-5-yl)-2-pyrimidin-5-ylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66802169
(E)-3-[4-[(Z)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]-3-methylphenyl]prop-2-enoic acid
CID 56941964
(E)-3-[4-[1-(1H-indazol-5-yl)-2-(4-pyrimidin-5-ylphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 123873145
(E)-3-[4-[(E)-4-hydroxy-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 56942104

Frequently Asked Questions

What is the IUPAC name of (E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide (CID 123870308) is (E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide is CCC(=C(c1ccc(/C=C/S(N)(=O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccccc1.
What is the InChIKey of (E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide?
The InChIKey is JHCLWWJIKXRUDM-VXBPXDQSSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-2-23(19-6-4-3-5-7-19)25(21-12-13-24-22(16-21)17-27-28-24)20-10-8-18(9-11-20)14-15-31(26,29)30/h3-17H,2H2,1H3,(H,27,28)(H2,26,29,30)/b15-14+,25-23?.
What are the key properties of (E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide?
(E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide has a molecular weight of 429.55 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide is sourced from PubChem (CID 123870308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).