N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide

C16H27NO2S — CID 3332180

IUPACN-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C16H27NO2S/c1-8-9-10-17(7)20(18,19)16-14(5)12(3)11(2)13(4)15(16)6/h8-10H2,1-7H3
InChIKeyYEGCNORPTZVZOW-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.65
Rot. Bonds5

About N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide

N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide (PubChem CID 3332180) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide
PubChem CID3332180
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC NameN-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C16H27NO2S/c1-8-9-10-17(7)20(18,19)16-14(5)12(3)11(2)13(4)15(16)6/h8-10H2,1-7H3
InChIKeyYEGCNORPTZVZOW-UHFFFAOYSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
The IUPAC name of N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide (CID 3332180) is N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide.
What is the SMILES notation for N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
The canonical SMILES for N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
The InChIKey is YEGCNORPTZVZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-8-9-10-17(7)20(18,19)16-14(5)12(3)11(2)13(4)15(16)6/h8-10H2,1-7H3.
What are the key properties of N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide?
N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide has a molecular weight of 297.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide is sourced from PubChem (CID 3332180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).