4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide

C13H17NO3S — CID 70074823

IUPAC4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide
SMILESC=CCC(C)=CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO3S/c1-4-5-11(2)10-14-18(15,16)13-8-6-12(17-3)7-9-13/h4,6-10,14H,1,5H2,2-3H3
InChIKeyBDRIIPLVFHFCNH-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.45
Rot. Bonds6

About 4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide

4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide (PubChem CID 70074823) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide
PubChem CID70074823
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide
SMILESC=CCC(C)=CNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO3S/c1-4-5-11(2)10-14-18(15,16)13-8-6-12(17-3)7-9-13/h4,6-10,14H,1,5H2,2-3H3
InChIKeyBDRIIPLVFHFCNH-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2,2-bis(4-methoxyphenyl)ethenyl]-4-methylbenzenesulfonamide
CID 122398695
4-methoxy-N-(1-methoxyethenyl)benzenesulfonamide
CID 117059157
(3R)-3-[(4-methoxyphenyl)sulfonylamino]-4-oxo-4-prop-2-enoxybutanoic acid
CID 142645675
5-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 70941084
N-[(1Z,3E)-hexa-1,3-dienyl]-4-methoxybenzenesulfonamide
CID 123365210
N-(4-methoxyphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 19258037
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
2-(4-methoxyphenyl)-N-[4-(prop-2-enylsulfamoyl)phenyl]acetamide
CID 4929851
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-methoxybenzenesulfonamide
CID 162639468
N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide (CID 70074823) is 4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide is C=CCC(C)=CNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide?
The InChIKey is BDRIIPLVFHFCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-4-5-11(2)10-14-18(15,16)13-8-6-12(17-3)7-9-13/h4,6-10,14H,1,5H2,2-3H3.
What are the key properties of 4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide?
4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide 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 4-methoxy-N-(2-methylpenta-1,4-dienyl)benzenesulfonamide is sourced from PubChem (CID 70074823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).