2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

C15H17ClN2O2S — CID 79756335

IUPAC2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-11-5-2-3-6-12(11)9-10-18-21(19,20)15-13(16)7-4-8-14(15)17/h2-8,18H,9-10,17H2,1H3
InChIKeyKNQHQULGKOVZBX-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.75
Rot. Bonds5

About 2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide

2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 79756335) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID79756335
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1CCNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-11-5-2-3-6-12(11)9-10-18-21(19,20)15-13(16)7-4-8-14(15)17/h2-8,18H,9-10,17H2,1H3
InChIKeyKNQHQULGKOVZBX-UHFFFAOYSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.75
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-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 146256445
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
2,4-dichloro-6-hydroxy-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 146256312
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
3-amino-N-[2-(2-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 103306499
2-amino-6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80681368
2-amino-6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62977744
2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103895
2-amino-6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62038556
2-amino-6-methyl-N-propylbenzenesulfonamide
CID 43452324
2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
CID 61106488

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide (CID 79756335) is 2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is Cc1ccccc1CCNS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is KNQHQULGKOVZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11-5-2-3-6-12(11)9-10-18-21(19,20)15-13(16)7-4-8-14(15)17/h2-8,18H,9-10,17H2,1H3.
What are the key properties of 2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide?
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 79756335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).