N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide

C17H19NO4S — CID 141457924

IUPACN-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-13-22-16-9-11-17(12-10-16)23(19,20)18-14-5-7-15(8-6-14)21-4-2/h3,5-12,18H,1,4,13H2,2H3
InChIKeyKHQVIXAQTCCPMY-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.45
Rot. Bonds8

About N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide

N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide (PubChem CID 141457924) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
PubChem CID141457924
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C17H19NO4S/c1-3-13-22-16-9-11-17(12-10-16)23(19,20)18-14-5-7-15(8-6-14)21-4-2/h3,5-12,18H,1,4,13H2,2H3
InChIKeyKHQVIXAQTCCPMY-UHFFFAOYSA-N
XLogP3.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
4-[(4-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 9419122
4-[(4-ethoxyphenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 35742507
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide (CID 141457924) is N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide is C=CCOc1ccc(S(=O)(=O)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide?
The InChIKey is KHQVIXAQTCCPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-13-22-16-9-11-17(12-10-16)23(19,20)18-14-5-7-15(8-6-14)21-4-2/h3,5-12,18H,1,4,13H2,2H3.
What are the key properties of N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide?
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide is sourced from PubChem (CID 141457924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).