N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide

C12H19NO2S — CID 81357180

IUPACN-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
SMILESCc1ccc([C@@H](C)NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-9(2)16(14,15)13-11(4)12-7-5-10(3)6-8-12/h5-9,11,13H,1-4H3/t11-/m1/s1
InChIKeyLMEUFNHFEGRFRA-LLVKDONJSA-N
MW241.36 g/mol
LogP2.38
Rot. Bonds4

About N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide

N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide (PubChem CID 81357180) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
PubChem CID81357180
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide
SMILESCc1ccc([C@@H](C)NS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-9(2)16(14,15)13-11(4)12-7-5-10(3)6-8-12/h5-9,11,13H,1-4H3/t11-/m1/s1
InChIKeyLMEUFNHFEGRFRA-LLVKDONJSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
N-[(1S)-1-(4-methylphenyl)ethyl]ethanesulfonamide
CID 81355389
1-chloro-N-[1-(4-methylphenyl)ethyl]methanesulfonamide
CID 63665593
N-[1-(4-iodophenyl)ethyl]-4-methylbenzenesulfonamide
CID 135004649
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301
3-[[(1S)-1-(4-methylphenyl)ethyl]sulfamoyl]propanoic acid
CID 81350145
N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
1-(4-bromophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93488201
N-[1-(4-methylphenyl)ethyl]piperazine-1-sulfonamide
CID 61253526
N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 101377414
N-[1-(4-methylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 19680825
3-hydroxy-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 81259142

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide (CID 81357180) is N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide is Cc1ccc([C@@H](C)NS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide?
The InChIKey is LMEUFNHFEGRFRA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(2)16(14,15)13-11(4)12-7-5-10(3)6-8-12/h5-9,11,13H,1-4H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide?
N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 81357180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).