N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide

C11H16N2O2S — CID 112980149

IUPACN-[4-(prop-2-enylamino)phenyl]ethanesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C11H16N2O2S/c1-3-9-12-10-5-7-11(8-6-10)13-16(14,15)4-2/h3,5-8,12-13H,1,4,9H2,2H3
InChIKeyUAFNAFWSEZCNNH-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.05
Rot. Bonds6

About N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide

N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide (PubChem CID 112980149) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(prop-2-enylamino)phenyl]ethanesulfonamide
PubChem CID112980149
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-[4-(prop-2-enylamino)phenyl]ethanesulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C11H16N2O2S/c1-3-9-12-10-5-7-11(8-6-10)13-16(14,15)4-2/h3,5-8,12-13H,1,4,9H2,2H3
InChIKeyUAFNAFWSEZCNNH-UHFFFAOYSA-N
XLogP2.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980197
2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
CID 47065396
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
4-iodo-N-prop-2-enylaniline
CID 62140116
5-methyl-N-[4-(prop-2-enylamino)phenyl]thiophene-2-sulfonamide
CID 112980180
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980172
4-(prop-2-enylamino)benzaldehyde
CID 13020046
CID 174697656
CID 174697656
N-(4-nitrophenyl)ethanesulfonamide
CID 521811
N-[4-(4-tert-butylanilino)phenyl]ethanesulfonamide
CID 112986729

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide (CID 112980149) is N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide is C=CCNc1ccc(NS(=O)(=O)CC)cc1.
What is the InChIKey of N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide?
The InChIKey is UAFNAFWSEZCNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-9-12-10-5-7-11(8-6-10)13-16(14,15)4-2/h3,5-8,12-13H,1,4,9H2,2H3.
What are the key properties of N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide?
N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide is sourced from PubChem (CID 112980149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).