N-(4-aminophenyl)-N-methylethanesulfonamide

C9H14N2O2S — CID 28894559

IUPACN-(4-aminophenyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C9H14N2O2S/c1-3-14(12,13)11(2)9-6-4-8(10)5-7-9/h4-7H,3,10H2,1-2H3
InChIKeyORIHHWFKHNUYDC-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.05
Rot. Bonds3

About N-(4-aminophenyl)-N-methylethanesulfonamide

N-(4-aminophenyl)-N-methylethanesulfonamide (PubChem CID 28894559) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methylethanesulfonamide
PubChem CID28894559
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(4-aminophenyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C9H14N2O2S/c1-3-14(12,13)11(2)9-6-4-8(10)5-7-9/h4-7H,3,10H2,1-2H3
InChIKeyORIHHWFKHNUYDC-UHFFFAOYSA-N
XLogP1.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
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)-N-methylethanesulfonamide?
The IUPAC name of N-(4-aminophenyl)-N-methylethanesulfonamide (CID 28894559) is N-(4-aminophenyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methylethanesulfonamide?
The InChIKey is ORIHHWFKHNUYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-14(12,13)11(2)9-6-4-8(10)5-7-9/h4-7H,3,10H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N-methylethanesulfonamide?
N-(4-aminophenyl)-N-methylethanesulfonamide has a molecular weight of 214.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methylethanesulfonamide is sourced from PubChem (CID 28894559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).