2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide

C20H27NO2S — CID 3844087

IUPAC2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NC(C)(C)c2ccccc2)c(C)c1C
InChIInChI=1S/C20H27NO2S/c1-13-14(2)16(4)19(17(5)15(13)3)24(22,23)21-20(6,7)18-11-9-8-10-12-18/h8-12,21H,1-7H3
InChIKeyYZMZFAJEORQDCF-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.44
Rot. Bonds4

About 2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide

2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide (PubChem CID 3844087) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
PubChem CID3844087
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NC(C)(C)c2ccccc2)c(C)c1C
InChIInChI=1S/C20H27NO2S/c1-13-14(2)16(4)19(17(5)15(13)3)24(22,23)21-20(6,7)18-11-9-8-10-12-18/h8-12,21H,1-7H3
InChIKeyYZMZFAJEORQDCF-UHFFFAOYSA-N
XLogP4.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide (CID 3844087) is 2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NC(C)(C)c2ccccc2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
The InChIKey is YZMZFAJEORQDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-13-14(2)16(4)19(17(5)15(13)3)24(22,23)21-20(6,7)18-11-9-8-10-12-18/h8-12,21H,1-7H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-(2-phenylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3844087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).