3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide

C14H15ClN2O2S — CID 61106720

IUPAC3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(N)c1)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-10(13-7-2-3-8-14(13)15)17-20(18,19)12-6-4-5-11(16)9-12/h2-10,17H,16H2,1H3
InChIKeyZNDRSPKKXXHDBF-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.96
Rot. Bonds4

About 3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide

3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 61106720) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID61106720
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cccc(N)c1)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c1-10(13-7-2-3-8-14(13)15)17-20(18,19)12-6-4-5-11(16)9-12/h2-10,17H,16H2,1H3
InChIKeyZNDRSPKKXXHDBF-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

N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]benzenesulfonamide
CID 61469000
N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
CID 43297970
N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43298053
N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
CID 43298057
2-amino-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61105978
4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 107858824
5-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 171907672
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81378158
3-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125318

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide (CID 61106720) is 3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cccc(N)c1)c1ccccc1Cl.
What is the InChIKey of 3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is ZNDRSPKKXXHDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10(13-7-2-3-8-14(13)15)17-20(18,19)12-6-4-5-11(16)9-12/h2-10,17H,16H2,1H3.
What are the key properties of 3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide?
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide 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 3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 61106720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).