N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide

C10H17NO2S — CID 139478325

IUPACN-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide
SMILESCCC(C)NS(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C10H17NO2S/c1-3-9(2)11-14(12,13)10-7-5-4-6-8-10/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyNPEZGJGIQQTSLE-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.94
Rot. Bonds4

About N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide

N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 139478325) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID139478325
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC NameN-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide
SMILESCCC(C)NS(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C10H17NO2S/c1-3-9(2)11-14(12,13)10-7-5-4-6-8-10/h5,7-9,11H,3-4,6H2,1-2H3
InChIKeyNPEZGJGIQQTSLE-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide (CID 139478325) is N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide is CCC(C)NS(=O)(=O)C1=CCCC=C1.
What is the InChIKey of N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is NPEZGJGIQQTSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-3-9(2)11-14(12,13)10-7-5-4-6-8-10/h5,7-9,11H,3-4,6H2,1-2H3.
What are the key properties of N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 215.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-ylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 139478325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).