3-amino-N,N,4,5-tetramethylbenzenesulfonamide

C10H16N2O2S — CID 4962713

IUPAC3-amino-N,N,4,5-tetramethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(N)c1C
InChIInChI=1S/C10H16N2O2S/c1-7-5-9(6-10(11)8(7)2)15(13,14)12(3)4/h5-6H,11H2,1-4H3
InChIKeyACLGQJHSMVTHFR-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.14
Rot. Bonds2

About 3-amino-N,N,4,5-tetramethylbenzenesulfonamide

3-amino-N,N,4,5-tetramethylbenzenesulfonamide (PubChem CID 4962713) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-amino-N,N,4,5-tetramethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N,4,5-tetramethylbenzenesulfonamide
PubChem CID4962713
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-amino-N,N,4,5-tetramethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(N)c1C
InChIInChI=1S/C10H16N2O2S/c1-7-5-9(6-10(11)8(7)2)15(13,14)12(3)4/h5-6H,11H2,1-4H3
InChIKeyACLGQJHSMVTHFR-UHFFFAOYSA-N
XLogP1.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N,4,5-tetramethylbenzenesulfonamide?
The IUPAC name of 3-amino-N,N,4,5-tetramethylbenzenesulfonamide (CID 4962713) is 3-amino-N,N,4,5-tetramethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N,N,4,5-tetramethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N,N,4,5-tetramethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C)cc(N)c1C.
What is the InChIKey of 3-amino-N,N,4,5-tetramethylbenzenesulfonamide?
The InChIKey is ACLGQJHSMVTHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-5-9(6-10(11)8(7)2)15(13,14)12(3)4/h5-6H,11H2,1-4H3.
What are the key properties of 3-amino-N,N,4,5-tetramethylbenzenesulfonamide?
3-amino-N,N,4,5-tetramethylbenzenesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N,4,5-tetramethylbenzenesulfonamide is sourced from PubChem (CID 4962713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).