2-(2-propylanilino)ethanesulfonamide

C11H18N2O2S — CID 114384948

IUPAC2-(2-propylanilino)ethanesulfonamide
SMILESCCCc1ccccc1NCCS(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-2-5-10-6-3-4-7-11(10)13-8-9-16(12,14)15/h3-4,6-7,13H,2,5,8-9H2,1H3,(H2,12,14,15)
InChIKeySKTUKEDKWKUWQL-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.34
Rot. Bonds6

About 2-(2-propylanilino)ethanesulfonamide

2-(2-propylanilino)ethanesulfonamide (PubChem CID 114384948) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-(2-propylanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-propylanilino)ethanesulfonamide
PubChem CID114384948
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-(2-propylanilino)ethanesulfonamide
SMILESCCCc1ccccc1NCCS(N)(=O)=O
InChIInChI=1S/C11H18N2O2S/c1-2-5-10-6-3-4-7-11(10)13-8-9-16(12,14)15/h3-4,6-7,13H,2,5,8-9H2,1H3,(H2,12,14,15)
InChIKeySKTUKEDKWKUWQL-UHFFFAOYSA-N
XLogP1.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoroethyl)-2-propylaniline
CID 80695673
2-(naphthalen-1-ylamino)ethanesulfonamide
CID 114384703
N-[2-(2-propylanilino)ethyl]acetamide
CID 107529290
N-(4,4-dimethylpentyl)-2-propylaniline
CID 114209394
N-(3-phenylpropyl)-2-propylaniline
CID 43687217
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
2-(chloromethyl)-N-(2-propylsulfonylethyl)aniline
CID 106730989
2-(2-sulfamoylethylamino)benzoic acid
CID 62231211
2-(2-nitroanilino)ethanesulfonamide
CID 43552409
2-propyl-N-(4,4,4-trifluorobutyl)aniline
CID 113326332
2-(3-fluoro-2-methylanilino)ethanesulfonamide
CID 114384957
N-methyl-4-(2-propylanilino)butanamide
CID 63891193

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylanilino)ethanesulfonamide?
The IUPAC name of 2-(2-propylanilino)ethanesulfonamide (CID 114384948) is 2-(2-propylanilino)ethanesulfonamide.
What is the SMILES notation for 2-(2-propylanilino)ethanesulfonamide?
The canonical SMILES for 2-(2-propylanilino)ethanesulfonamide is CCCc1ccccc1NCCS(N)(=O)=O.
What is the InChIKey of 2-(2-propylanilino)ethanesulfonamide?
The InChIKey is SKTUKEDKWKUWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-5-10-6-3-4-7-11(10)13-8-9-16(12,14)15/h3-4,6-7,13H,2,5,8-9H2,1H3,(H2,12,14,15).
What are the key properties of 2-(2-propylanilino)ethanesulfonamide?
2-(2-propylanilino)ethanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylanilino)ethanesulfonamide is sourced from PubChem (CID 114384948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).