N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide

C18H21NO3S — CID 112788087

IUPACN-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H21NO3S/c1-3-14-19(15-16-8-6-5-7-9-16)23(20,21)18-12-10-17(11-13-18)22-4-2/h3,5-13H,1,4,14-15H2,2H3
InChIKeyBWRZEKBQQKDJMU-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.46
Rot. Bonds8

About N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide

N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide (PubChem CID 112788087) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide
PubChem CID112788087
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC)cc1
InChIInChI=1S/C18H21NO3S/c1-3-14-19(15-16-8-6-5-7-9-16)23(20,21)18-12-10-17(11-13-18)22-4-2/h3,5-13H,1,4,14-15H2,2H3
InChIKeyBWRZEKBQQKDJMU-UHFFFAOYSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide
CID 78766614
N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 112788088
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100797664
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100797709
N-benzyl-4-ethoxy-N-(2-methyl-1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711678
2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
CID 113222280
4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787907
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide (CID 112788087) is N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide is C=CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC)cc1.
What is the InChIKey of N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide?
The InChIKey is BWRZEKBQQKDJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-3-14-19(15-16-8-6-5-7-9-16)23(20,21)18-12-10-17(11-13-18)22-4-2/h3,5-13H,1,4,14-15H2,2H3.
What are the key properties of N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide?
N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide has a molecular weight of 331.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 112788087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).