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

C15H17ClN2O2S — CID 61106723

IUPAC5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-7-14(17)9-15(10)21(19,20)18-11(2)12-4-3-5-13(16)8-12/h3-9,11,18H,17H2,1-2H3
InChIKeySYPXZIGSNUPIIF-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.27
Rot. Bonds4

About 5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide

5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 61106723) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID61106723
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-7-14(17)9-15(10)21(19,20)18-11(2)12-4-3-5-13(16)8-12/h3-9,11,18H,17H2,1-2H3
InChIKeySYPXZIGSNUPIIF-UHFFFAOYSA-N
XLogP3.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.27
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
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 61105602
N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
CID 43297970
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 107869104
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
N-[3-[1-[(5-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]acetamide
CID 55627714
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
4-amino-N-[1-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61105766
5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide
CID 66751883
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 18096876
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 61074330

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide (CID 61106723) is 5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of 5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is SYPXZIGSNUPIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-6-7-14(17)9-15(10)21(19,20)18-11(2)12-4-3-5-13(16)8-12/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 61106723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).