2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide

C15H17ClN2O2S — CID 61106488

IUPAC2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-11-6-5-9-14(17)15(11)21(19,20)18(2)10-12-7-3-4-8-13(12)16/h3-9H,10,17H2,1-2H3
InChIKeyHGDRMNOLVKATCI-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.05
Rot. Bonds4

About 2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide

2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide (PubChem CID 61106488) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
PubChem CID61106488
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H17ClN2O2S/c1-11-6-5-9-14(17)15(11)21(19,20)18(2)10-12-7-3-4-8-13(12)16/h3-9H,10,17H2,1-2H3
InChIKeyHGDRMNOLVKATCI-UHFFFAOYSA-N
XLogP3.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide
CID 86794996
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105926
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 62335547
2-amino-N-(3-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 114230029
2-amino-N,6-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62002027
3-chloro-2-[(2-chlorophenyl)methylsulfonyl]aniline
CID 81186152
N-[(2-chlorophenyl)methyl]-2,3,5,6-tetrafluoro-4-methoxy-N-methylbenzenesulfonamide
CID 18191880
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide (CID 61106488) is 2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide?
The InChIKey is HGDRMNOLVKATCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11-6-5-9-14(17)15(11)21(19,20)18(2)10-12-7-3-4-8-13(12)16/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide?
2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 61106488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).