5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide

C15H18N2O2S — CID 29288655

IUPAC5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C15H18N2O2S/c1-10-6-4-5-7-14(10)17-20(18,19)15-9-13(16)8-11(2)12(15)3/h4-9,17H,16H2,1-3H3
InChIKeySXMKRXXMDGQOIV-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.99
Rot. Bonds3

About 5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide

5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 29288655) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID29288655
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C15H18N2O2S/c1-10-6-4-5-7-14(10)17-20(18,19)15-9-13(16)8-11(2)12(15)3/h4-9,17H,16H2,1-3H3
InChIKeySXMKRXXMDGQOIV-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.99
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

4-amino-2-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 43256224
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide
CID 79757817
5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 29040045
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28522742
5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66351008
5-(aminomethyl)-N-(2-chlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 106061933
3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide
CID 103050305
2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
CID 62143538
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide (CID 29288655) is 5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is SXMKRXXMDGQOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-6-4-5-7-14(10)17-20(18,19)15-9-13(16)8-11(2)12(15)3/h4-9,17H,16H2,1-3H3.
What are the key properties of 5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 29288655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).