5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

C10H16N2O4S2 — CID 54936764

IUPAC5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCS(C)(=O)=O
InChIInChI=1S/C10H16N2O4S2/c1-8-3-4-9(11)7-10(8)18(15,16)12-5-6-17(2,13)14/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyNSOIHKAQLHVDOM-UHFFFAOYSA-N
MW292.38 g/mol
LogP-0.10
Rot. Bonds5

About 5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide

5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 54936764) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID54936764
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Name5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCCS(C)(=O)=O
InChIInChI=1S/C10H16N2O4S2/c1-8-3-4-9(11)7-10(8)18(15,16)12-5-6-17(2,13)14/h3-4,7,12H,5-6,11H2,1-2H3
InChIKeyNSOIHKAQLHVDOM-UHFFFAOYSA-N
XLogP-0.10
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.10
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-N-(6-hydroxyhexyl)-2-methylbenzenesulfonamide
CID 107843500
4-[(5-amino-2-methylphenyl)sulfonylamino]butanamide
CID 60864084
5-amino-2-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 162727328
5-amino-2-methyl-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 78984276
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
4-amino-2,6-dimethyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79588681
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylbenzenesulfonamide
CID 61242109
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034479
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 65246698
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
5-amino-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940395

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 54936764) is 5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NCCS(C)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is NSOIHKAQLHVDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-8-3-4-9(11)7-10(8)18(15,16)12-5-6-17(2,13)14/h3-4,7,12H,5-6,11H2,1-2H3.
What are the key properties of 5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide?
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 292.38 g/mol, XLogP of -0.10, 5 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-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 54936764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).