N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide

C13H21NO2S — CID 22201177

IUPACN-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-5-17(15,16)14-11(4)13-8-6-12(7-9-13)10(2)3/h6-11,14H,5H2,1-4H3
InChIKeyYHXVQFRMXDCCCR-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.81
Rot. Bonds5

About N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide

N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide (PubChem CID 22201177) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
PubChem CID22201177
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C13H21NO2S/c1-5-17(15,16)14-11(4)13-8-6-12(7-9-13)10(2)3/h6-11,14H,5H2,1-4H3
InChIKeyYHXVQFRMXDCCCR-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
N-[(1S)-1-(4-bromophenyl)ethyl]ethanesulfonamide
CID 28560656
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ethanesulfonamide
CID 94211223
(E)-3-[4-[1-(ethylsulfonylamino)ethyl]phenyl]prop-2-enoic acid
CID 109375021
N-[(1S)-1-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 81349430
N-[1-(1,3-benzodioxol-5-yl)ethyl]ethanesulfonamide
CID 22773282
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
N-[1-[4-(trifluoromethyl)phenyl]ethyl]propane-1-sulfonamide
CID 61383811
2-[1-(4-chlorophenyl)ethylsulfamoyl]acetic acid
CID 43361907
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide (CID 22201177) is N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide?
The InChIKey is YHXVQFRMXDCCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-5-17(15,16)14-11(4)13-8-6-12(7-9-13)10(2)3/h6-11,14H,5H2,1-4H3.
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide?
N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 22201177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).