5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide

C11H19N3O4S2 — CID 79905154

IUPAC5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide
SMILESCc1c(N(C)CCS(C)(=O)=O)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C11H19N3O4S2/c1-8-10(14(2)4-5-19(3,15)16)6-9(12)7-11(8)20(13,17)18/h6-7H,4-5,12H2,1-3H3,(H2,13,17,18)
InChIKeyQWNVKZGGXKHOFN-UHFFFAOYSA-N
MW321.42 g/mol
LogP-0.29
Rot. Bonds5

About 5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide

5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide (PubChem CID 79905154) has the molecular formula C11H19N3O4S2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide
PubChem CID79905154
Molecular FormulaC11H19N3O4S2
Molecular Weight321.42 g/mol
Exact Mass321.08
IUPAC Name5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide
SMILESCc1c(N(C)CCS(C)(=O)=O)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C11H19N3O4S2/c1-8-10(14(2)4-5-19(3,15)16)6-9(12)7-11(8)20(13,17)18/h6-7H,4-5,12H2,1-3H3,(H2,13,17,18)
InChIKeyQWNVKZGGXKHOFN-UHFFFAOYSA-N
XLogP-0.29
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-[2-(dimethylamino)ethyl-methylamino]-2-methylbenzenesulfonamide
CID 79896226
5-amino-3-[2-cyanoethyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79897338
5-amino-3-[3-methoxypropyl(methyl)amino]-2-methylbenzenesulfonamide
CID 79895968
5-amino-2-methyl-3-[methyl(2-methylbutyl)amino]benzenesulfonamide
CID 79896823
5-amino-3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylbenzenesulfonamide
CID 79900394
5-amino-2-methyl-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenesulfonamide
CID 79899789
5-amino-3-[bis(2-methoxyethyl)amino]-2-methylbenzenesulfonamide
CID 79899801
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
CID 79896211
2-bromo-1-N-methyl-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 79850896
5-amino-3-[bis(cyclopropylmethyl)amino]-2-methylbenzenesulfonamide
CID 79901551
5-amino-3-[ethyl(2-methylpropyl)amino]-2-methylbenzenesulfonamide
CID 79896553
5-amino-3-[cyclopentyl(2-hydroxyethyl)amino]-2-methylbenzenesulfonamide
CID 79900402

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide (CID 79905154) is 5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide is Cc1c(N(C)CCS(C)(=O)=O)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide?
The InChIKey is QWNVKZGGXKHOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S2/c1-8-10(14(2)4-5-19(3,15)16)6-9(12)7-11(8)20(13,17)18/h6-7H,4-5,12H2,1-3H3,(H2,13,17,18).
What are the key properties of 5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide?
5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide has a molecular weight of 321.42 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]benzenesulfonamide is sourced from PubChem (CID 79905154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).