N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide

C14H25NO2S — CID 143467609

IUPACN-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)C1=CC=CCC1
InChIInChI=1S/C14H25NO2S/c1-13(2,3)11-14(4,5)15-18(16,17)12-9-7-6-8-10-12/h6-7,9,15H,8,10-11H2,1-5H3
InChIKeyTUJALXBUCAUYHD-UHFFFAOYSA-N
MW271.43 g/mol
LogP3.35
Rot. Bonds4

About N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide

N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide (PubChem CID 143467609) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide
PubChem CID143467609
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)C1=CC=CCC1
InChIInChI=1S/C14H25NO2S/c1-13(2,3)11-14(4,5)15-18(16,17)12-9-7-6-8-10-12/h6-7,9,15H,8,10-11H2,1-5H3
InChIKeyTUJALXBUCAUYHD-UHFFFAOYSA-N
XLogP3.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide (CID 143467609) is N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide is CC(C)(C)CC(C)(C)NS(=O)(=O)C1=CC=CCC1.
What is the InChIKey of N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is TUJALXBUCAUYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-13(2,3)11-14(4,5)15-18(16,17)12-9-7-6-8-10-12/h6-7,9,15H,8,10-11H2,1-5H3.
What are the key properties of N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide?
N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 271.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,4-trimethylpentan-2-yl)cyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 143467609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).