4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide

C16H20N2O2S — CID 43099417

IUPAC4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(C)N)cc2)c1C
InChIInChI=1S/C16H20N2O2S/c1-11-5-4-6-16(12(11)2)18-21(19,20)15-9-7-14(8-10-15)13(3)17/h4-10,13,18H,17H2,1-3H3
InChIKeyOXKNORAVSLGFLT-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.12
Rot. Bonds4

About 4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide

4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide (PubChem CID 43099417) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
PubChem CID43099417
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C(C)N)cc2)c1C
InChIInChI=1S/C16H20N2O2S/c1-11-5-4-6-16(12(11)2)18-21(19,20)15-9-7-14(8-10-15)13(3)17/h4-10,13,18H,17H2,1-3H3
InChIKeyOXKNORAVSLGFLT-UHFFFAOYSA-N
XLogP3.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 43095409
4-(1-aminoethyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43111564
2-N,7-N-bis(2,3-dimethylphenyl)-9-oxofluorene-2,7-disulfonamide
CID 988110
4-(1-aminoethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 43111211
N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
CID 26952276
2-[[4-[(2,3-dimethylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223202
4-(1-aminoethyl)-N-(2,5-difluorophenyl)benzenesulfonamide
CID 43105533
N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688335
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
N-[4-[(2,3-dimethylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 6459006
N-(2,3-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108586
N-(2,3-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 7938577

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide (CID 43099417) is 4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C(C)N)cc2)c1C.
What is the InChIKey of 4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide?
The InChIKey is OXKNORAVSLGFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-5-4-6-16(12(11)2)18-21(19,20)15-9-7-14(8-10-15)13(3)17/h4-10,13,18H,17H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide?
4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-(2,3-dimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 43099417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).