4-pentoxy-N-prop-2-enylbenzenesulfonamide

C14H21NO3S — CID 43845618

IUPAC4-pentoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(OCCCCC)cc1
InChIInChI=1S/C14H21NO3S/c1-3-5-6-12-18-13-7-9-14(10-8-13)19(16,17)15-11-4-2/h4,7-10,15H,2-3,5-6,11-12H2,1H3
InChIKeyYETHYQOPJZHXBV-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.72
Rot. Bonds9

About 4-pentoxy-N-prop-2-enylbenzenesulfonamide

4-pentoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 43845618) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 4-pentoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-pentoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID43845618
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name4-pentoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(OCCCCC)cc1
InChIInChI=1S/C14H21NO3S/c1-3-5-6-12-18-13-7-9-14(10-8-13)19(16,17)15-11-4-2/h4,7-10,15H,2-3,5-6,11-12H2,1H3
InChIKeyYETHYQOPJZHXBV-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
CID 119973145
4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 27243561
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991
N-methyl-2-[4-(prop-2-enylsulfamoyl)phenoxy]acetamide
CID 100814368
4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
CID 106058279
1-but-3-enylsulfonyl-4-butoxybenzene
CID 23466721
1-dodecoxy-4-[(4-dodecoxyphenyl)sulfonylmethylsulfonyl]benzene
CID 23437512
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
4-(2-methoxyethoxy)-N-[[4-(prop-2-enylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17353818
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
sodium 4-undecoxybenzenesulfonate
CID 139816425

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-pentoxy-N-prop-2-enylbenzenesulfonamide (CID 43845618) is 4-pentoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-pentoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-pentoxy-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(OCCCCC)cc1.
What is the InChIKey of 4-pentoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is YETHYQOPJZHXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-5-6-12-18-13-7-9-14(10-8-13)19(16,17)15-11-4-2/h4,7-10,15H,2-3,5-6,11-12H2,1H3.
What are the key properties of 4-pentoxy-N-prop-2-enylbenzenesulfonamide?
4-pentoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 43845618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).