N,N,2,3,5,6-hexamethylbenzenesulfonamide

C12H19NO2S — CID 6463325

IUPACN,N,2,3,5,6-hexamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C12H19NO2S/c1-8-7-9(2)11(4)12(10(8)3)16(14,15)13(5)6/h7H,1-6H3
InChIKeyHDWCCGOKSUKHTM-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.17
Rot. Bonds2

About N,N,2,3,5,6-hexamethylbenzenesulfonamide

N,N,2,3,5,6-hexamethylbenzenesulfonamide (PubChem CID 6463325) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N,N,2,3,5,6-hexamethylbenzenesulfonamide.

Molecular Properties

Compound NameN,N,2,3,5,6-hexamethylbenzenesulfonamide
PubChem CID6463325
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN,N,2,3,5,6-hexamethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C)C)c1C
InChIInChI=1S/C12H19NO2S/c1-8-7-9(2)11(4)12(10(8)3)16(14,15)13(5)6/h7H,1-6H3
InChIKeyHDWCCGOKSUKHTM-UHFFFAOYSA-N
XLogP2.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,2,3,5,6-hexamethylbenzenesulfonamide?
The IUPAC name of N,N,2,3,5,6-hexamethylbenzenesulfonamide (CID 6463325) is N,N,2,3,5,6-hexamethylbenzenesulfonamide.
What is the SMILES notation for N,N,2,3,5,6-hexamethylbenzenesulfonamide?
The canonical SMILES for N,N,2,3,5,6-hexamethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(C)C)c1C.
What is the InChIKey of N,N,2,3,5,6-hexamethylbenzenesulfonamide?
The InChIKey is HDWCCGOKSUKHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-8-7-9(2)11(4)12(10(8)3)16(14,15)13(5)6/h7H,1-6H3.
What are the key properties of N,N,2,3,5,6-hexamethylbenzenesulfonamide?
N,N,2,3,5,6-hexamethylbenzenesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3,5,6-hexamethylbenzenesulfonamide is sourced from PubChem (CID 6463325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).