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

C9H15NO2S — CID 147867702

IUPACN-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC(C)NS(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C9H15NO2S/c1-8(2)10-13(11,12)9-6-4-3-5-7-9/h4,6-8,10H,3,5H2,1-2H3
InChIKeyHXZMRXLLCPBZIM-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.55
Rot. Bonds3

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

N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 147867702) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID147867702
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC(C)NS(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C9H15NO2S/c1-8(2)10-13(11,12)9-6-4-3-5-7-9/h4,6-8,10H,3,5H2,1-2H3
InChIKeyHXZMRXLLCPBZIM-UHFFFAOYSA-N
XLogP1.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide (CID 147867702) is N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide is CC(C)NS(=O)(=O)C1=CCCC=C1.
What is the InChIKey of N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is HXZMRXLLCPBZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-8(2)10-13(11,12)9-6-4-3-5-7-9/h4,6-8,10H,3,5H2,1-2H3.
What are the key properties of N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 147867702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).