4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide

C11H16N2O2S2 — CID 106430171

IUPAC4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide
SMILESC=CCSCCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O2S2/c1-2-8-16-9-7-13-10-3-5-11(6-4-10)17(12,14)15/h2-6,13H,1,7-9H2,(H2,12,14,15)
InChIKeyQZWREXLNOVCGIV-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.67
Rot. Bonds7

About 4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide

4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide (PubChem CID 106430171) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide
PubChem CID106430171
Molecular FormulaC11H16N2O2S2
Molecular Weight272.40 g/mol
Exact Mass272.07
IUPAC Name4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide
SMILESC=CCSCCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H16N2O2S2/c1-2-8-16-9-7-13-10-3-5-11(6-4-10)17(12,14)15/h2-6,13H,1,7-9H2,(H2,12,14,15)
InChIKeyQZWREXLNOVCGIV-UHFFFAOYSA-N
XLogP1.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylsulfonyl-N-(2-prop-2-enylsulfanylethyl)aniline
CID 113412222
4-(2-prop-2-enylsulfanylethylamino)benzoic acid
CID 106429317
4-methyl-1-N-(2-prop-2-enylsulfanylethyl)benzene-1,3-diamine
CID 106425994
4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
2-bromo-4-(2-prop-2-enylsulfanylethylamino)benzoic acid
CID 106433213
3-fluoro-4-(2-prop-2-enylsulfanylethylsulfamoyl)benzenesulfonyl chloride
CID 106428409
4-[3-(cyclopropylamino)propylamino]benzenesulfonamide
CID 43599575
3-bromo-N-(2-prop-2-enylsulfanylethyl)-5-sulfamoylbenzamide
CID 106432212
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
4-(3-aminopentylamino)benzenesulfonamide
CID 113498131
5-bromo-N-(2-prop-2-enylsulfanylethyl)pyridin-3-amine
CID 103702794

Frequently Asked Questions

What is the IUPAC name of 4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide?
The IUPAC name of 4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide (CID 106430171) is 4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide.
What is the SMILES notation for 4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide?
The canonical SMILES for 4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide is C=CCSCCNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide?
The InChIKey is QZWREXLNOVCGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-2-8-16-9-7-13-10-3-5-11(6-4-10)17(12,14)15/h2-6,13H,1,7-9H2,(H2,12,14,15).
What are the key properties of 4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide?
4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide has a molecular weight of 272.40 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-prop-2-enylsulfanylethylamino)benzenesulfonamide is sourced from PubChem (CID 106430171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).