N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide

C13H17NO3S — CID 123365210

IUPACN-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide
SMILESCC/C=C/C=C\NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO3S/c1-3-4-5-6-11-14-18(15,16)13-9-7-12(17-2)8-10-13/h4-11,14H,3H2,1-2H3/b5-4+,11-6-
InChIKeyIRDKWCWJKPXAJP-QTJNYWJXSA-N
MW267.35 g/mol
LogP2.45
Rot. Bonds6

About N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide

N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide (PubChem CID 123365210) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide
PubChem CID123365210
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC NameN-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide
SMILESCC/C=C/C=C\NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO3S/c1-3-4-5-6-11-14-18(15,16)13-9-7-12(17-2)8-10-13/h4-11,14H,3H2,1-2H3/b5-4+,11-6-
InChIKeyIRDKWCWJKPXAJP-QTJNYWJXSA-N
XLogP2.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 70941084
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide
CID 70074823
1-ethyl-3-[(4-methoxyphenyl)sulfonylamino]urea
CID 47425131
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide
CID 122398695
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
4-methoxy-N-(1-methoxyethenyl)benzenesulfonamide
CID 117059157

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide (CID 123365210) is N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide is CC/C=C/C=C\NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide?
The InChIKey is IRDKWCWJKPXAJP-QTJNYWJXSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-4-5-6-11-14-18(15,16)13-9-7-12(17-2)8-10-13/h4-11,14H,3H2,1-2H3/b5-4+,11-6-.
What are the key properties of N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide?
N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 123365210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).