2-(4-propan-2-ylsulfonylanilino)acetaldehyde

C11H15NO3S — CID 115222671

IUPAC2-(4-propan-2-ylsulfonylanilino)acetaldehyde
SMILESCC(C)S(=O)(=O)c1ccc(NCC=O)cc1
InChIInChI=1S/C11H15NO3S/c1-9(2)16(14,15)11-5-3-10(4-6-11)12-7-8-13/h3-6,8-9,12H,7H2,1-2H3
InChIKeyLQSYCYPCSDVWOQ-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.48
Rot. Bonds5

About 2-(4-propan-2-ylsulfonylanilino)acetaldehyde

2-(4-propan-2-ylsulfonylanilino)acetaldehyde (PubChem CID 115222671) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfonylanilino)acetaldehyde.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfonylanilino)acetaldehyde
PubChem CID115222671
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-(4-propan-2-ylsulfonylanilino)acetaldehyde
SMILESCC(C)S(=O)(=O)c1ccc(NCC=O)cc1
InChIInChI=1S/C11H15NO3S/c1-9(2)16(14,15)11-5-3-10(4-6-11)12-7-8-13/h3-6,8-9,12H,7H2,1-2H3
InChIKeyLQSYCYPCSDVWOQ-UHFFFAOYSA-N
XLogP1.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine
CID 115195756
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701
2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 96678961
2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 115172909
2-oxo-2-(4-propan-2-ylsulfonylanilino)acetic acid
CID 82502013
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
CID 110778736
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
[(4-propan-2-ylsulfonylphenyl)methylamino]methanethiol
CID 115227962
3-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528412
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfonylanilino)acetaldehyde?
The IUPAC name of 2-(4-propan-2-ylsulfonylanilino)acetaldehyde (CID 115222671) is 2-(4-propan-2-ylsulfonylanilino)acetaldehyde.
What is the SMILES notation for 2-(4-propan-2-ylsulfonylanilino)acetaldehyde?
The canonical SMILES for 2-(4-propan-2-ylsulfonylanilino)acetaldehyde is CC(C)S(=O)(=O)c1ccc(NCC=O)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfonylanilino)acetaldehyde?
The InChIKey is LQSYCYPCSDVWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9(2)16(14,15)11-5-3-10(4-6-11)12-7-8-13/h3-6,8-9,12H,7H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylsulfonylanilino)acetaldehyde?
2-(4-propan-2-ylsulfonylanilino)acetaldehyde has a molecular weight of 241.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfonylanilino)acetaldehyde is sourced from PubChem (CID 115222671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).