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

C15H18N2O2S — CID 62001461

IUPAC5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C15H18N2O2S/c1-11-6-4-5-7-14(11)17(3)20(18,19)15-10-13(16)9-8-12(15)2/h4-10H,16H2,1-3H3
InChIKeyPWRGKYZWXLLCCO-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.71
Rot. Bonds3

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

5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 62001461) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
PubChem CID62001461
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cc(N)ccc1C
InChIInChI=1S/C15H18N2O2S/c1-11-6-4-5-7-14(11)17(3)20(18,19)15-10-13(16)9-8-12(15)2/h4-10H,16H2,1-3H3
InChIKeyPWRGKYZWXLLCCO-UHFFFAOYSA-N
XLogP2.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.71
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

4-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001466
4-amino-2-cyano-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001649
5-amino-2,3-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 65020929
5-amino-2,4-difluoro-N-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001646
2-amino-N,6-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62002027
3-amino-N,1-dimethyl-N-(2-methylphenyl)pyrazole-4-sulfonamide
CID 62002029
4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580
5-amino-N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 106759348
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
5-amino-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 29043173
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide (CID 62001461) is 5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1N(C)S(=O)(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is PWRGKYZWXLLCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-6-4-5-7-14(11)17(3)20(18,19)15-10-13(16)9-8-12(15)2/h4-10H,16H2,1-3H3.
What are the key properties of 5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide?
5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 62001461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).