5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide

C10H17N3O4S2 — CID 79896211

IUPAC5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
SMILESCc1c(NCCS(C)(=O)=O)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O4S2/c1-7-9(13-3-4-18(2,14)15)5-8(11)6-10(7)19(12,16)17/h5-6,13H,3-4,11H2,1-2H3,(H2,12,16,17)
InChIKeyPDEATFPNRXUIBI-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.32
Rot. Bonds5

About 5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide

5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide (PubChem CID 79896211) has the molecular formula C10H17N3O4S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
PubChem CID79896211
Molecular FormulaC10H17N3O4S2
Molecular Weight307.40 g/mol
Exact Mass307.07
IUPAC Name5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide
SMILESCc1c(NCCS(C)(=O)=O)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C10H17N3O4S2/c1-7-9(13-3-4-18(2,14)15)5-8(11)6-10(7)19(12,16)17/h5-6,13H,3-4,11H2,1-2H3,(H2,12,16,17)
InChIKeyPDEATFPNRXUIBI-UHFFFAOYSA-N
XLogP-0.32
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide (CID 79896211) is 5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide is Cc1c(NCCS(C)(=O)=O)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide?
The InChIKey is PDEATFPNRXUIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4S2/c1-7-9(13-3-4-18(2,14)15)5-8(11)6-10(7)19(12,16)17/h5-6,13H,3-4,11H2,1-2H3,(H2,12,16,17).
What are the key properties of 5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide?
5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide has a molecular weight of 307.40 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-(2-methylsulfonylethylamino)benzenesulfonamide is sourced from PubChem (CID 79896211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).