N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide

C12H17NO2S — CID 167065333

IUPACN-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide
SMILESC=C(C)c1ccc(CS(=O)(=O)NCC)cc1
InChIInChI=1S/C12H17NO2S/c1-4-13-16(14,15)9-11-5-7-12(8-6-11)10(2)3/h5-8,13H,2,4,9H2,1,3H3
InChIKeyHDAMJGNRYJLZKD-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.16
Rot. Bonds5

About N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide

N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide (PubChem CID 167065333) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide
PubChem CID167065333
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide
SMILESC=C(C)c1ccc(CS(=O)(=O)NCC)cc1
InChIInChI=1S/C12H17NO2S/c1-4-13-16(14,15)9-11-5-7-12(8-6-11)10(2)3/h5-8,13H,2,4,9H2,1,3H3
InChIKeyHDAMJGNRYJLZKD-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide
CID 145265595
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
1-prop-1-en-2-yl-4-[(4-propylphenyl)methyl]benzene
CID 153374408
4-[(2-ethyl-2-hydroxybutyl)sulfamoylmethyl]benzoic acid
CID 65105756
4-(prop-2-enylsulfamoylmethyl)benzoic acid
CID 43362558
1-(3-methylbut-3-enyl)-4-prop-1-en-2-ylbenzene
CID 143231860
1-(methylsulfanylmethyl)-4-prop-1-en-2-ylbenzene
CID 102248016
4-[2-(dimethylamino)propylsulfamoylmethyl]benzoic acid
CID 61042934
4-(2-hydroxypropylsulfamoylmethyl)benzoic acid
CID 43499045
1-[4-(hydroxyamino)phenyl]-N-propylmethanesulfonamide
CID 118327460
sodium 4-prop-1-en-2-ylbenzenesulfonate
CID 23696519
methyl 4-[[(2R)-2-hydroxypropyl]sulfamoylmethyl]benzoate
CID 83030316

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide?
The IUPAC name of N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide (CID 167065333) is N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide is C=C(C)c1ccc(CS(=O)(=O)NCC)cc1.
What is the InChIKey of N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide?
The InChIKey is HDAMJGNRYJLZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-4-13-16(14,15)9-11-5-7-12(8-6-11)10(2)3/h5-8,13H,2,4,9H2,1,3H3.
What are the key properties of N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide?
N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 167065333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).