4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide

C18H14N4O2S2 — CID 2253271

IUPAC4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide
SMILESN#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14N4O2S2/c19-10-14(11-21-15-6-8-16(9-7-15)26(20,23)24)18-22-17(12-25-18)13-4-2-1-3-5-13/h1-9,11-12,21H,(H2,20,23,24)/b14-11+
InChIKeyJXPXUSZPOJGBFB-SDNWHVSQSA-N
MW382.47 g/mol
LogP3.43
Rot. Bonds5

About 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide

4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide (PubChem CID 2253271) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide
PubChem CID2253271
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC Name4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide
SMILESN#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14N4O2S2/c19-10-14(11-21-15-6-8-16(9-7-15)26(20,23)24)18-22-17(12-25-18)13-4-2-1-3-5-13/h1-9,11-12,21H,(H2,20,23,24)/b14-11+
InChIKeyJXPXUSZPOJGBFB-SDNWHVSQSA-N
XLogP3.43
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-cyano-2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzenesulfonamide
CID 5215982
4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzamide
CID 741320
3-(4-methylanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 3721609
(Z)-3-(4-methoxyanilino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 2057598
3-(4-ethylanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 3849433
3-(3,4-difluoroanilino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 3759662
(E)-3-anilino-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 1223314
3-(4-butylanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 23964128
2-(4-phenyl-1,3-thiazol-2-yl)-3-(quinolin-6-ylamino)prop-2-enenitrile
CID 1389538
(E)-3-(4-fluoro-3-nitroanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 51045231
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile
CID 4050480
3-(2-ethylanilino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 3823570

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide?
The IUPAC name of 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide (CID 2253271) is 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide is N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide?
The InChIKey is JXPXUSZPOJGBFB-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c19-10-14(11-21-15-6-8-16(9-7-15)26(20,23)24)18-22-17(12-25-18)13-4-2-1-3-5-13/h1-9,11-12,21H,(H2,20,23,24)/b14-11+.
What are the key properties of 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide?
4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide has a molecular weight of 382.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]amino]benzenesulfonamide is sourced from PubChem (CID 2253271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).