2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C16H25NO3S — CID 19682485

IUPAC2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCC2CCCO2)c(C)c1C
InChIInChI=1S/C16H25NO3S/c1-10-11(2)13(4)16(14(5)12(10)3)21(18,19)17-9-15-7-6-8-20-15/h15,17H,6-9H2,1-5H3
InChIKeyOAUREIPAELOIBL-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.69
Rot. Bonds4

About 2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 19682485) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID19682485
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC Name2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)NCC2CCCO2)c(C)c1C
InChIInChI=1S/C16H25NO3S/c1-10-11(2)13(4)16(14(5)12(10)3)21(18,19)17-9-15-7-6-8-20-15/h15,17H,6-9H2,1-5H3
InChIKeyOAUREIPAELOIBL-UHFFFAOYSA-N
XLogP2.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5-tetramethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51681797
N-[[(2R)-oxolan-2-yl]methyl]-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 1284754
4-methoxy-2,3,5-trimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1085540
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
2-[(sulfamoylamino)methyl]oxolane
CID 68548773
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
4-N,4-N-dimethyl-1-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 25040936
4-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2225767
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
5-chloro-3-(hydroxymethyl)-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 82891386

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 19682485) is 2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)NCC2CCCO2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is OAUREIPAELOIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-10-11(2)13(4)16(14(5)12(10)3)21(18,19)17-9-15-7-6-8-20-15/h15,17H,6-9H2,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 19682485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).