N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide

C14H15ClN2O2S — CID 43297970

IUPACN-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C14H15ClN2O2S/c1-10(11-4-2-6-13(16)8-11)17-20(18,19)14-7-3-5-12(15)9-14/h2-10,17H,16H2,1H3
InChIKeyMYWYDTDIJORANA-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.96
Rot. Bonds4

About N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide

N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide (PubChem CID 43297970) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
PubChem CID43297970
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(Cl)c1)c1cccc(N)c1
InChIInChI=1S/C14H15ClN2O2S/c1-10(11-4-2-6-13(16)8-11)17-20(18,19)14-7-3-5-12(15)9-14/h2-10,17H,16H2,1H3
InChIKeyMYWYDTDIJORANA-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
N-[1-(3-aminophenyl)ethyl]-3,5-difluorobenzenesulfonamide
CID 43593641
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61106723
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 61469000
2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 61105602
3-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125318
N-[1-(3-aminophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 43297963
N-[1-(3-chlorophenyl)ethyl]-2-oxochromene-6-sulfonamide
CID 134002377
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzenesulfonamide
CID 65192522

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide (CID 43297970) is N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide is CC(NS(=O)(=O)c1cccc(Cl)c1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide?
The InChIKey is MYWYDTDIJORANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10(11-4-2-6-13(16)8-11)17-20(18,19)14-7-3-5-12(15)9-14/h2-10,17H,16H2,1H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide?
N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide is sourced from PubChem (CID 43297970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).