N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide

C15H18N2O2S — CID 43550604

IUPACN-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)Cc2ccccc2)c1C
InChIInChI=1S/C15H18N2O2S/c1-11-8-9-14(16)15(12(11)2)17-20(18,19)10-13-6-4-3-5-7-13/h3-9,17H,10,16H2,1-2H3
InChIKeyVXGHNLZOUDNWQK-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.83
Rot. Bonds4

About N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide

N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide (PubChem CID 43550604) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide
PubChem CID43550604
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide
SMILESCc1ccc(N)c(NS(=O)(=O)Cc2ccccc2)c1C
InChIInChI=1S/C15H18N2O2S/c1-11-8-9-14(16)15(12(11)2)17-20(18,19)10-13-6-4-3-5-7-13/h3-9,17H,10,16H2,1-2H3
InChIKeyVXGHNLZOUDNWQK-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.83
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

1-amino-3,4-dimethyl-2-(sulfamoylamino)benzene
CID 114958678
N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
CID 17374357
4-benzylsulfonyl-2-methylaniline
CID 81182009
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
1-(4-aminophenyl)-N-(2,6-difluoro-3-methylphenyl)methanesulfonamide
CID 82799003
N-(6-amino-2,3-dimethylphenyl)-5-methylthiophene-2-sulfonamide
CID 43550595
methyl 3-(benzylsulfonylamino)-4-methylthiophene-2-carboxylate
CID 114916457
N-[4-amino-3-(trifluoromethyl)phenyl]-1-phenylmethanesulfonamide
CID 16776379
2-(benzylsulfonylamino)-4-(2-phenylethyl)benzoic acid;2-methyl-5-(2-phenylethyl)aniline;N-[2-methyl-5-(2-phenylethyl)phenyl]-1-phenylmethanesulfonamide
CID 160840316
5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide
CID 8513731
1-(2-aminophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 62021830

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide (CID 43550604) is N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide is Cc1ccc(N)c(NS(=O)(=O)Cc2ccccc2)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is VXGHNLZOUDNWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-8-9-14(16)15(12(11)2)17-20(18,19)10-13-6-4-3-5-7-13/h3-9,17H,10,16H2,1-2H3.
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide?
N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 43550604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).