4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide

C17H19NO4S2 — CID 52706398

IUPAC4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C17H19NO4S2/c1-3-14-18(15-8-6-5-7-9-15)24(21,22)17-12-10-16(11-13-17)23(19,20)4-2/h3,5-13H,1,4,14H2,2H3
InChIKeyRPGBXIGWJHLVML-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.86
Rot. Bonds7

About 4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide

4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 52706398) has the molecular formula C17H19NO4S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide
PubChem CID52706398
Molecular FormulaC17H19NO4S2
Molecular Weight365.48 g/mol
Exact Mass365.08
IUPAC Name4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C17H19NO4S2/c1-3-14-18(15-8-6-5-7-9-15)24(21,22)17-12-10-16(11-13-17)23(19,20)4-2/h3,5-13H,1,4,14H2,2H3
InChIKeyRPGBXIGWJHLVML-UHFFFAOYSA-N
XLogP2.86
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 2375923
N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530275
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
4-[benzenesulfonyl(prop-2-enyl)amino]-N-[(Z)-butan-2-ylideneamino]benzamide
CID 92644415
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2585592
N-(4-ethoxyphenyl)-4-nitro-N-prop-2-enylbenzenesulfonamide
CID 100525941
4-(3-chloro-2-cyanophenoxy)-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 3706036
N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100515606
(2-methoxy-2-oxoethyl) 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 16569634
N-(3-bromophenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100531068
N-(3,4-dimethylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530628

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide (CID 52706398) is 4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is RPGBXIGWJHLVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S2/c1-3-14-18(15-8-6-5-7-9-15)24(21,22)17-12-10-16(11-13-17)23(19,20)4-2/h3,5-13H,1,4,14H2,2H3.
What are the key properties of 4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide?
4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 365.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-phenyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 52706398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).