(3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide

C20H19N3O2S — CID 130437987

IUPAC(3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide
SMILESC=C/C(=C\C=C/C)S(=O)(=O)Nc1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C20H19N3O2S/c1-3-5-11-18(4-2)26(24,25)22-16-9-8-10-17(14-16)23-15-21-19-12-6-7-13-20(19)23/h3-15,22H,2H2,1H3/b5-3-,18-11+
InChIKeyOVEQQJICRNITLJ-DGZKOEIYSA-N
MW365.46 g/mol
LogP4.41
Rot. Bonds6

About (3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide

(3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide (PubChem CID 130437987) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is (3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide.

Molecular Properties

Compound Name(3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide
PubChem CID130437987
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name(3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide
SMILESC=C/C(=C\C=C/C)S(=O)(=O)Nc1cccc(-n2cnc3ccccc32)c1
InChIInChI=1S/C20H19N3O2S/c1-3-5-11-18(4-2)26(24,25)22-16-9-8-10-17(14-16)23-15-21-19-12-6-7-13-20(19)23/h3-15,22H,2H2,1H3/b5-3-,18-11+
InChIKeyOVEQQJICRNITLJ-DGZKOEIYSA-N
XLogP4.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide?
The IUPAC name of (3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide (CID 130437987) is (3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide.
What is the SMILES notation for (3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide?
The canonical SMILES for (3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide is C=C/C(=C\C=C/C)S(=O)(=O)Nc1cccc(-n2cnc3ccccc32)c1.
What is the InChIKey of (3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide?
The InChIKey is OVEQQJICRNITLJ-DGZKOEIYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-3-5-11-18(4-2)26(24,25)22-16-9-8-10-17(14-16)23-15-21-19-12-6-7-13-20(19)23/h3-15,22H,2H2,1H3/b5-3-,18-11+.
What are the key properties of (3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide?
(3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide has a molecular weight of 365.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-[3-(benzimidazol-1-yl)phenyl]hepta-1,3,5-triene-3-sulfonamide is sourced from PubChem (CID 130437987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).