molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide

C9H17NO2S — CID 177207639

IUPACmolecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC(C)NS(=O)(=O)C1=CCCC=C1.[H][H]
InChIInChI=1S/C9H15NO2S.H2/c1-8(2)10-13(11,12)9-6-4-3-5-7-9;/h4,6-8,10H,3,5H2,1-2H3;1H
InChIKeyBWTQASXIYDMFOW-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.79
Rot. Bonds3

About molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide

molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 177207639) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Namemolecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID177207639
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namemolecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC(C)NS(=O)(=O)C1=CCCC=C1.[H][H]
InChIInChI=1S/C9H15NO2S.H2/c1-8(2)10-13(11,12)9-6-4-3-5-7-9;/h4,6-8,10H,3,5H2,1-2H3;1H
InChIKeyBWTQASXIYDMFOW-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide (CID 177207639) is molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide is CC(C)NS(=O)(=O)C1=CCCC=C1.[H][H].
What is the InChIKey of molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is BWTQASXIYDMFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S.H2/c1-8(2)10-13(11,12)9-6-4-3-5-7-9;/h4,6-8,10H,3,5H2,1-2H3;1H.
What are the key properties of molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide?
molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 203.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-propan-2-ylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 177207639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).