N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide

C16H19NO2S — CID 742447

IUPACN,2,4,6-tetramethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C16H19NO2S/c1-12-10-13(2)16(14(3)11-12)20(18,19)17(4)15-8-6-5-7-9-15/h5-11H,1-4H3
InChIKeyHBYFHURSCVIIAA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.44
Rot. Bonds3

About N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide

N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide (PubChem CID 742447) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN,2,4,6-tetramethyl-N-phenylbenzenesulfonamide
PubChem CID742447
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN,2,4,6-tetramethyl-N-phenylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)c2ccccc2)c(C)c1
InChIInChI=1S/C16H19NO2S/c1-12-10-13(2)16(14(3)11-12)20(18,19)17(4)15-8-6-5-7-9-15/h5-11H,1-4H3
InChIKeyHBYFHURSCVIIAA-UHFFFAOYSA-N
XLogP3.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide?
The IUPAC name of N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide (CID 742447) is N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(C)c2ccccc2)c(C)c1.
What is the InChIKey of N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide?
The InChIKey is HBYFHURSCVIIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12-10-13(2)16(14(3)11-12)20(18,19)17(4)15-8-6-5-7-9-15/h5-11H,1-4H3.
What are the key properties of N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide?
N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide has a molecular weight of 289.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4,6-tetramethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 742447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).