N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide

C12H19NO2S — CID 145265595

IUPACN-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide
SMILESCCNS(=O)(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-13-16(14,15)9-11-5-7-12(8-6-11)10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyJLAPSYPICJCREZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.25
Rot. Bonds5

About N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide

N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide (PubChem CID 145265595) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide
PubChem CID145265595
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide
SMILESCCNS(=O)(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-4-13-16(14,15)9-11-5-7-12(8-6-11)10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyJLAPSYPICJCREZ-UHFFFAOYSA-N
XLogP2.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-prop-1-en-2-ylphenyl)methanesulfonamide
CID 167065333
(4-propan-2-ylphenyl)methanesulfonyl chloride
CID 16776213
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
molecular hydrogen;(4-propan-2-ylphenyl)methanesulfonamide
CID 142616935
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
CID 119976062
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 22201177
2-chloro-N-[(4-propan-2-ylphenyl)methyl]ethanesulfonamide
CID 107651829
(4-propan-2-ylphenyl) 2-[(4-fluorophenyl)methylsulfonylamino]acetate
CID 110671082
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
CID 126637013
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
CID 112511125
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide?
The IUPAC name of N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide (CID 145265595) is N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide is CCNS(=O)(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide?
The InChIKey is JLAPSYPICJCREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-13-16(14,15)9-11-5-7-12(8-6-11)10(2)3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide?
N-ethyl-1-(4-propan-2-ylphenyl)methanesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.25, 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-propan-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 145265595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).