4-[2-(1-aminopropylsulfonyl)phenyl]aniline

C15H18N2O2S — CID 57106926

IUPAC4-[2-(1-aminopropylsulfonyl)phenyl]aniline
SMILESCCC(N)S(=O)(=O)c1ccccc1-c1ccc(N)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-15(17)20(18,19)14-6-4-3-5-13(14)11-7-9-12(16)10-8-11/h3-10,15H,2,16-17H2,1H3
InChIKeyWUOMIUQQLDKEHN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.40
Rot. Bonds4

About 4-[2-(1-aminopropylsulfonyl)phenyl]aniline

4-[2-(1-aminopropylsulfonyl)phenyl]aniline (PubChem CID 57106926) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[2-(1-aminopropylsulfonyl)phenyl]aniline.

Molecular Properties

Compound Name4-[2-(1-aminopropylsulfonyl)phenyl]aniline
PubChem CID57106926
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-[2-(1-aminopropylsulfonyl)phenyl]aniline
SMILESCCC(N)S(=O)(=O)c1ccccc1-c1ccc(N)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-15(17)20(18,19)14-6-4-3-5-13(14)11-7-9-12(16)10-8-11/h3-10,15H,2,16-17H2,1H3
InChIKeyWUOMIUQQLDKEHN-UHFFFAOYSA-N
XLogP2.40
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-tert-butyl-N-propylbenzenesulfonamide
CID 10783804
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
ethane;4-(2-ethylsulfanylphenyl)aniline
CID 142086543
diethyl hexanedioate;1-(2-methylphenyl)sulfonylpropan-1-amine
CID 174897290
[4-(2-methylsulfonylphenyl)phenyl]methanamine
CID 15551924
CID 173410069
CID 173410069
2-(4-phenylphenyl)benzenesulfonic acid
CID 19793885
1-azulen-1-ylpropane-1-sulfonamide
CID 141268908
5-amino-2-(4-aminophenyl)benzenesulfonamide
CID 102079717
N-cyano-2-(4-ethylphenyl)benzenesulfonamide
CID 18719905
ethyl 2-pyridin-4-ylbenzenesulfonate
CID 139893435
2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline
CID 161385819

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminopropylsulfonyl)phenyl]aniline?
The IUPAC name of 4-[2-(1-aminopropylsulfonyl)phenyl]aniline (CID 57106926) is 4-[2-(1-aminopropylsulfonyl)phenyl]aniline.
What is the SMILES notation for 4-[2-(1-aminopropylsulfonyl)phenyl]aniline?
The canonical SMILES for 4-[2-(1-aminopropylsulfonyl)phenyl]aniline is CCC(N)S(=O)(=O)c1ccccc1-c1ccc(N)cc1.
What is the InChIKey of 4-[2-(1-aminopropylsulfonyl)phenyl]aniline?
The InChIKey is WUOMIUQQLDKEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-15(17)20(18,19)14-6-4-3-5-13(14)11-7-9-12(16)10-8-11/h3-10,15H,2,16-17H2,1H3.
What are the key properties of 4-[2-(1-aminopropylsulfonyl)phenyl]aniline?
4-[2-(1-aminopropylsulfonyl)phenyl]aniline has a molecular weight of 290.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminopropylsulfonyl)phenyl]aniline is sourced from PubChem (CID 57106926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).