N-(4-aminophenyl)ethanesulfonamide

C8H12N2O2S — CID 12999209

IUPACN-(4-aminophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N)cc1
InChIInChI=1S/C8H12N2O2S/c1-2-13(11,12)10-8-5-3-7(9)4-6-8/h3-6,10H,2,9H2,1H3
InChIKeyCPPJVBODPOBMCV-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.03
Rot. Bonds3

About N-(4-aminophenyl)ethanesulfonamide

N-(4-aminophenyl)ethanesulfonamide (PubChem CID 12999209) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(4-aminophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)ethanesulfonamide
PubChem CID12999209
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(4-aminophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(N)cc1
InChIInChI=1S/C8H12N2O2S/c1-2-13(11,12)10-8-5-3-7(9)4-6-8/h3-6,10H,2,9H2,1H3
InChIKeyCPPJVBODPOBMCV-UHFFFAOYSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)ethanesulfonamide?
The IUPAC name of N-(4-aminophenyl)ethanesulfonamide (CID 12999209) is N-(4-aminophenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)ethanesulfonamide?
The canonical SMILES for N-(4-aminophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)ethanesulfonamide?
The InChIKey is CPPJVBODPOBMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-13(11,12)10-8-5-3-7(9)4-6-8/h3-6,10H,2,9H2,1H3.
What are the key properties of N-(4-aminophenyl)ethanesulfonamide?
N-(4-aminophenyl)ethanesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)ethanesulfonamide is sourced from PubChem (CID 12999209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).