3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide

C15H17ClN2O2S — CID 61108348

IUPAC3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-7-14(17)11(2)15(10)21(19,20)18-9-12-4-3-5-13(16)8-12/h3-8,18H,9,17H2,1-2H3
InChIKeyXFMYGYMDIYUKNA-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.02
Rot. Bonds4

About 3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide

3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide (PubChem CID 61108348) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide
PubChem CID61108348
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O2S/c1-10-6-7-14(17)11(2)15(10)21(19,20)18-9-12-4-3-5-13(16)8-12/h3-8,18H,9,17H2,1-2H3
InChIKeyXFMYGYMDIYUKNA-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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-5-chloro-N-[(3-chlorophenyl)methyl]benzenesulfonamide
CID 61108918
3-amino-N-[(3-chlorophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885283
N-[2-(3-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19680910
N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide
CID 43593561
5-amino-N-[(3-chlorophenyl)methyl]-2,4-difluorobenzenesulfonamide
CID 61109676
3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
3-amino-2,6-dimethyl-N-octylbenzenesulfonamide
CID 115566101
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106006828
3-amino-N-[3-(methanesulfonamido)propyl]-2,6-dimethylbenzenesulfonamide
CID 106333253
N-[(3-chlorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 62533780
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
3-amino-2,6-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 61280403

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide (CID 61108348) is 3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is XFMYGYMDIYUKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10-6-7-14(17)11(2)15(10)21(19,20)18-9-12-4-3-5-13(16)8-12/h3-8,18H,9,17H2,1-2H3.
What are the key properties of 3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide?
3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chlorophenyl)methyl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 61108348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).