N-tert-butyl-2,6-dichlorobenzenesulfonamide

C10H13Cl2NO2S — CID 3331531

IUPACN-tert-butyl-2,6-dichlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-10(2,3)13-16(14,15)9-7(11)5-4-6-8(9)12/h4-6,13H,1-3H3
InChIKeyYVNYXXBEOHUODD-UHFFFAOYSA-N
MW282.19 g/mol
LogP3.07
Rot. Bonds2

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

N-tert-butyl-2,6-dichlorobenzenesulfonamide (PubChem CID 3331531) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is N-tert-butyl-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2,6-dichlorobenzenesulfonamide
PubChem CID3331531
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC NameN-tert-butyl-2,6-dichlorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2S/c1-10(2,3)13-16(14,15)9-7(11)5-4-6-8(9)12/h4-6,13H,1-3H3
InChIKeyYVNYXXBEOHUODD-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-tert-butyl-2,6-dichlorobenzenesulfonamide (CID 3331531) is N-tert-butyl-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-tert-butyl-2,6-dichlorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-tert-butyl-2,6-dichlorobenzenesulfonamide?
The InChIKey is YVNYXXBEOHUODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-10(2,3)13-16(14,15)9-7(11)5-4-6-8(9)12/h4-6,13H,1-3H3.
What are the key properties of N-tert-butyl-2,6-dichlorobenzenesulfonamide?
N-tert-butyl-2,6-dichlorobenzenesulfonamide has a molecular weight of 282.19 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 3331531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).