4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide

C10H16ClN3O4S2 — CID 868627

IUPAC4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide
SMILESCN(C)S(=O)(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1N
InChIInChI=1S/C10H16ClN3O4S2/c1-13(2)19(15,16)9-6-10(8(12)5-7(9)11)20(17,18)14(3)4/h5-6H,12H2,1-4H3
InChIKeyDITLKVJIRDDLEG-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.42
Rot. Bonds4

About 4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide

4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide (PubChem CID 868627) has the molecular formula C10H16ClN3O4S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide.

Molecular Properties

Compound Name4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide
PubChem CID868627
Molecular FormulaC10H16ClN3O4S2
Molecular Weight341.84 g/mol
Exact Mass341.03
IUPAC Name4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide
SMILESCN(C)S(=O)(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1N
InChIInChI=1S/C10H16ClN3O4S2/c1-13(2)19(15,16)9-6-10(8(12)5-7(9)11)20(17,18)14(3)4/h5-6H,12H2,1-4H3
InChIKeyDITLKVJIRDDLEG-UHFFFAOYSA-N
XLogP0.42
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide?
The IUPAC name of 4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide (CID 868627) is 4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide.
What is the SMILES notation for 4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide?
The canonical SMILES for 4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide is CN(C)S(=O)(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1N.
What is the InChIKey of 4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide?
The InChIKey is DITLKVJIRDDLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O4S2/c1-13(2)19(15,16)9-6-10(8(12)5-7(9)11)20(17,18)14(3)4/h5-6H,12H2,1-4H3.
What are the key properties of 4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide?
4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide has a molecular weight of 341.84 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-disulfonamide is sourced from PubChem (CID 868627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).