N,N-diethyl-4-prop-2-enoxybenzenesulfonamide

C13H19NO3S — CID 141457908

IUPACN,N-diethyl-4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C13H19NO3S/c1-4-11-17-12-7-9-13(10-8-12)18(15,16)14(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3
InChIKeyRJUJAKVIACMNLI-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.28
Rot. Bonds7

About N,N-diethyl-4-prop-2-enoxybenzenesulfonamide

N,N-diethyl-4-prop-2-enoxybenzenesulfonamide (PubChem CID 141457908) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N,N-diethyl-4-prop-2-enoxybenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-prop-2-enoxybenzenesulfonamide
PubChem CID141457908
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN,N-diethyl-4-prop-2-enoxybenzenesulfonamide
SMILESC=CCOc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C13H19NO3S/c1-4-11-17-12-7-9-13(10-8-12)18(15,16)14(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3
InChIKeyRJUJAKVIACMNLI-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.28
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

4-Methoxybenzenesulfonamide
CID 70789
4-Propoxybenzenesulfonamide
CID 21978067
1-((4-Methoxyphenyl)sulfonyl)piperazine
CID 797560
(3S)-1-((4-(but-2-yn-1-yloxy)phenyl)sulfonyl)pyrrolidine-3-thiol
CID 9861547
4-Ethoxybenzenesulfonamide
CID 3724005
1-[(4-Methoxyphenyl)sulfonyl]-4-methylpiperazine
CID 676048
4-Ethoxybenzene-1-sulfonohydrazide
CID 2063483
1,4-Bis[(4-methoxyphenyl)sulfonyl]piperazine
CID 1104493
4-Butoxybenzenesulfonamide
CID 2049187
Thiol-arylsulfonamide, 4b
CID 16739287
4-(Allyloxy)benzenesulfonamide
CID 18668331
Thiol-arylsulfonamide, 4a
CID 25138244

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-prop-2-enoxybenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-prop-2-enoxybenzenesulfonamide (CID 141457908) is N,N-diethyl-4-prop-2-enoxybenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-prop-2-enoxybenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-prop-2-enoxybenzenesulfonamide is C=CCOc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of N,N-diethyl-4-prop-2-enoxybenzenesulfonamide?
The InChIKey is RJUJAKVIACMNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-11-17-12-7-9-13(10-8-12)18(15,16)14(5-2)6-3/h4,7-10H,1,5-6,11H2,2-3H3.
What are the key properties of N,N-diethyl-4-prop-2-enoxybenzenesulfonamide?
N,N-diethyl-4-prop-2-enoxybenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-prop-2-enoxybenzenesulfonamide is sourced from PubChem (CID 141457908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).