5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide

C16H20N2O4S2 — CID 162727328

IUPAC5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O4S2/c1-12-3-6-14(17)11-16(12)24(21,22)18-10-9-13-4-7-15(8-5-13)23(2,19)20/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyWSHAIYFNSCCNGE-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.50
Rot. Bonds6

About 5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide

5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide (PubChem CID 162727328) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
PubChem CID162727328
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N2O4S2/c1-12-3-6-14(17)11-16(12)24(21,22)18-10-9-13-4-7-15(8-5-13)23(2,19)20/h3-8,11,18H,9-10,17H2,1-2H3
InChIKeyWSHAIYFNSCCNGE-UHFFFAOYSA-N
XLogP1.50
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
4-N-[2-(4-aminophenyl)ethyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875967
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
N-[2-(4-aminophenyl)ethyl]-4,5-dimethyl-2-nitrobenzenesulfonamide;hydrochloride
CID 120715663
ethyl 3-[2-(4-aminophenyl)ethylsulfamoyl]-4-methylbenzoate;hydrochloride
CID 120715587
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
5-amino-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide (CID 162727328) is 5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NCCc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
The InChIKey is WSHAIYFNSCCNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-12-3-6-14(17)11-16(12)24(21,22)18-10-9-13-4-7-15(8-5-13)23(2,19)20/h3-8,11,18H,9-10,17H2,1-2H3.
What are the key properties of 5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide?
5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide has a molecular weight of 368.48 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 162727328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).