pentane-1-sulfonamide

C5H13NO2S — CID 10920696

IUPACpentane-1-sulfonamide
SMILESCCCCCS(N)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H2,6,7,8)
InChIKeyICFQGMYPBURXAZ-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.47
Rot. Bonds4

About pentane-1-sulfonamide

pentane-1-sulfonamide (PubChem CID 10920696) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is pentane-1-sulfonamide.

Molecular Properties

Compound Namepentane-1-sulfonamide
PubChem CID10920696
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Namepentane-1-sulfonamide
SMILESCCCCCS(N)(=O)=O
InChIInChI=1S/C5H13NO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H2,6,7,8)
InChIKeyICFQGMYPBURXAZ-UHFFFAOYSA-N
XLogP0.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cyclohexanesulfonamide
CID 75536
1-Butanesulfonamide
CID 18460
2-Pentanesulfonamide
CID 205367
Propane-2-sulfonamide
CID 3549191
Propane-1-sulphonamide
CID 3401849
2-Methylpropane-1-sulfonamide
CID 10197726
4-Methylpentane-2-sulfonamide
CID 54354651
Hexane-1-sulfonamide
CID 13537577
Cyclopentanesulfonamide
CID 4645983
Cyclobutanesulfonamide
CID 15238957
2,2-Dimethylpropane-1-sulfonamide
CID 18348400
2-Methylbutane-1-sulfonamide
CID 20152313

Frequently Asked Questions

What is the IUPAC name of pentane-1-sulfonamide?
The IUPAC name of pentane-1-sulfonamide (CID 10920696) is pentane-1-sulfonamide.
What is the SMILES notation for pentane-1-sulfonamide?
The canonical SMILES for pentane-1-sulfonamide is CCCCCS(N)(=O)=O.
What is the InChIKey of pentane-1-sulfonamide?
The InChIKey is ICFQGMYPBURXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H2,6,7,8).
What are the key properties of pentane-1-sulfonamide?
pentane-1-sulfonamide has a molecular weight of 151.23 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1-sulfonamide is sourced from PubChem (CID 10920696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).