2-(4-propoxyanilino)ethanesulfonamide

C11H18N2O3S — CID 114384994

IUPAC2-(4-propoxyanilino)ethanesulfonamide
SMILESCCCOc1ccc(NCCS(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S/c1-2-8-16-11-5-3-10(4-6-11)13-7-9-17(12,14)15/h3-6,13H,2,7-9H2,1H3,(H2,12,14,15)
InChIKeyPCNXFJNODFCPRA-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.18
Rot. Bonds7

About 2-(4-propoxyanilino)ethanesulfonamide

2-(4-propoxyanilino)ethanesulfonamide (PubChem CID 114384994) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(4-propoxyanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-propoxyanilino)ethanesulfonamide
PubChem CID114384994
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-(4-propoxyanilino)ethanesulfonamide
SMILESCCCOc1ccc(NCCS(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O3S/c1-2-8-16-11-5-3-10(4-6-11)13-7-9-17(12,14)15/h3-6,13H,2,7-9H2,1H3,(H2,12,14,15)
InChIKeyPCNXFJNODFCPRA-UHFFFAOYSA-N
XLogP1.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylsulfonylethyl)-4-propoxyaniline
CID 62327463
N-but-3-ynyl-4-propoxyaniline
CID 63655083
2-(4-phenoxyanilino)ethanesulfonamide
CID 114384719
3-methyl-1-N-(4-propoxyphenyl)butane-1,3-diamine
CID 112753914
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54806067
N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
2-(4-fluoroanilino)ethanesulfonamide
CID 114384672
4-butoxy-N-butylaniline
CID 15112153
4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
N-(4-propoxyphenyl)ethanesulfonamide
CID 50895245

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyanilino)ethanesulfonamide?
The IUPAC name of 2-(4-propoxyanilino)ethanesulfonamide (CID 114384994) is 2-(4-propoxyanilino)ethanesulfonamide.
What is the SMILES notation for 2-(4-propoxyanilino)ethanesulfonamide?
The canonical SMILES for 2-(4-propoxyanilino)ethanesulfonamide is CCCOc1ccc(NCCS(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-propoxyanilino)ethanesulfonamide?
The InChIKey is PCNXFJNODFCPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-2-8-16-11-5-3-10(4-6-11)13-7-9-17(12,14)15/h3-6,13H,2,7-9H2,1H3,(H2,12,14,15).
What are the key properties of 2-(4-propoxyanilino)ethanesulfonamide?
2-(4-propoxyanilino)ethanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyanilino)ethanesulfonamide is sourced from PubChem (CID 114384994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).