N-butylfuran-2-sulfonamide

C8H13NO3S — CID 70503543

IUPACN-butylfuran-2-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccco1
InChIInChI=1S/C8H13NO3S/c1-2-3-6-9-13(10,11)8-5-4-7-12-8/h4-5,7,9H,2-3,6H2,1H3
InChIKeyKANDEOJCXUIQNC-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.36
Rot. Bonds5

About N-butylfuran-2-sulfonamide

N-butylfuran-2-sulfonamide (PubChem CID 70503543) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is N-butylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-butylfuran-2-sulfonamide
PubChem CID70503543
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC NameN-butylfuran-2-sulfonamide
SMILESCCCCNS(=O)(=O)c1ccco1
InChIInChI=1S/C8H13NO3S/c1-2-3-6-9-13(10,11)8-5-4-7-12-8/h4-5,7,9H,2-3,6H2,1H3
InChIKeyKANDEOJCXUIQNC-UHFFFAOYSA-N
XLogP1.36
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylfuran-2-sulfonamide?
The IUPAC name of N-butylfuran-2-sulfonamide (CID 70503543) is N-butylfuran-2-sulfonamide.
What is the SMILES notation for N-butylfuran-2-sulfonamide?
The canonical SMILES for N-butylfuran-2-sulfonamide is CCCCNS(=O)(=O)c1ccco1.
What is the InChIKey of N-butylfuran-2-sulfonamide?
The InChIKey is KANDEOJCXUIQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-2-3-6-9-13(10,11)8-5-4-7-12-8/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of N-butylfuran-2-sulfonamide?
N-butylfuran-2-sulfonamide has a molecular weight of 203.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylfuran-2-sulfonamide is sourced from PubChem (CID 70503543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).