2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide

C15H17ClN2O2S — CID 61105602

IUPAC2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10-5-3-8-14(17)15(10)21(19,20)18-11(2)12-6-4-7-13(16)9-12/h3-9,11,18H,17H2,1-2H3
InChIKeyHGWLPNVZFLFWJO-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.27
Rot. Bonds4

About 2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide

2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide (PubChem CID 61105602) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
PubChem CID61105602
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10-5-3-8-14(17)15(10)21(19,20)18-11(2)12-6-4-7-13(16)9-12/h3-9,11,18H,17H2,1-2H3
InChIKeyHGWLPNVZFLFWJO-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

2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61106723
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355
N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
CID 43297970
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 79247641
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 51169508
6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864030
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylbenzenesulfonamide
CID 113498913
4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 107863972
2-[(2-amino-6-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 54950915
2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide (CID 61105602) is 2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide?
The InChIKey is HGWLPNVZFLFWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-5-3-8-14(17)15(10)21(19,20)18-11(2)12-6-4-7-13(16)9-12/h3-9,11,18H,17H2,1-2H3.
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide?
2-amino-N-[1-(3-chlorophenyl)ethyl]-6-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 2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide is sourced from PubChem (CID 61105602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).