4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide

C10H14Cl2N2O2S — CID 43256902

IUPAC4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-10(2,3)14-17(15,16)9-7(11)4-6(13)5-8(9)12/h4-5,14H,13H2,1-3H3
InChIKeyJVEPKGWSQAROLO-UHFFFAOYSA-N
MW297.21 g/mol
LogP2.65
Rot. Bonds2

About 4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide

4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide (PubChem CID 43256902) has the molecular formula C10H14Cl2N2O2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide
PubChem CID43256902
Molecular FormulaC10H14Cl2N2O2S
Molecular Weight297.21 g/mol
Exact Mass296.02
IUPAC Name4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2O2S/c1-10(2,3)14-17(15,16)9-7(11)4-6(13)5-8(9)12/h4-5,14H,13H2,1-3H3
InChIKeyJVEPKGWSQAROLO-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 52.65
H-Bond Donors ≤ 52
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 4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide?
The IUPAC name of 4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide (CID 43256902) is 4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide?
The InChIKey is JVEPKGWSQAROLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O2S/c1-10(2,3)14-17(15,16)9-7(11)4-6(13)5-8(9)12/h4-5,14H,13H2,1-3H3.
What are the key properties of 4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide?
4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide has a molecular weight of 297.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 43256902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).