N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide

C13H23NO2S — CID 174425485

IUPACN-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1C=CC=CC1(C)CC
InChIInChI=1S/C13H23NO2S/c1-4-6-11-17(15,16)14-12-9-7-8-10-13(12,3)5-2/h7-10,12,14H,4-6,11H2,1-3H3
InChIKeyHAKSCQMRRAMTJR-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.62
Rot. Bonds6

About N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide

N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide (PubChem CID 174425485) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide
PubChem CID174425485
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1C=CC=CC1(C)CC
InChIInChI=1S/C13H23NO2S/c1-4-6-11-17(15,16)14-12-9-7-8-10-13(12,3)5-2/h7-10,12,14H,4-6,11H2,1-3H3
InChIKeyHAKSCQMRRAMTJR-UHFFFAOYSA-N
XLogP2.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide?
The IUPAC name of N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide (CID 174425485) is N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide?
The canonical SMILES for N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide is CCCCS(=O)(=O)NC1C=CC=CC1(C)CC.
What is the InChIKey of N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide?
The InChIKey is HAKSCQMRRAMTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-4-6-11-17(15,16)14-12-9-7-8-10-13(12,3)5-2/h7-10,12,14H,4-6,11H2,1-3H3.
What are the key properties of N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide?
N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide has a molecular weight of 257.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-6-methylcyclohexa-2,4-dien-1-yl)butane-1-sulfonamide is sourced from PubChem (CID 174425485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).