N-pentylfuran-2-sulfonamide

C9H15NO3S — CID 21064582

IUPACN-pentylfuran-2-sulfonamide
SMILESCCCCCNS(=O)(=O)c1ccco1
InChIInChI=1S/C9H15NO3S/c1-2-3-4-7-10-14(11,12)9-6-5-8-13-9/h5-6,8,10H,2-4,7H2,1H3
InChIKeyKCGGBKXQCLDJQN-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.75
Rot. Bonds6

About N-pentylfuran-2-sulfonamide

N-pentylfuran-2-sulfonamide (PubChem CID 21064582) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-pentylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-pentylfuran-2-sulfonamide
PubChem CID21064582
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-pentylfuran-2-sulfonamide
SMILESCCCCCNS(=O)(=O)c1ccco1
InChIInChI=1S/C9H15NO3S/c1-2-3-4-7-10-14(11,12)9-6-5-8-13-9/h5-6,8,10H,2-4,7H2,1H3
InChIKeyKCGGBKXQCLDJQN-UHFFFAOYSA-N
XLogP1.75
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.75
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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Related Compounds

4-(furan-2-ylsulfonylamino)butanoic acid
CID 68573622
N-tridecylbenzenesulfonamide
CID 3514704
N-butyl-2-(furan-2-yl)benzenesulfonamide
CID 168525566
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-pentylthiophene-2-sulfonamide
CID 5150701
N-dodecylthiophene-2-sulfonamide
CID 19681497
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-octyl-3-(trifluoromethyl)benzenesulfonamide
CID 67803477
N-dodecyl-3-(trifluoromethyl)benzenesulfonamide
CID 23358572
4-(2-chloroacetyl)-N-pentylbenzenesulfonamide
CID 82165572
3-bromo-N-hexylbenzenesulfonamide
CID 31481292

Frequently Asked Questions

What is the IUPAC name of N-pentylfuran-2-sulfonamide?
The IUPAC name of N-pentylfuran-2-sulfonamide (CID 21064582) is N-pentylfuran-2-sulfonamide.
What is the SMILES notation for N-pentylfuran-2-sulfonamide?
The canonical SMILES for N-pentylfuran-2-sulfonamide is CCCCCNS(=O)(=O)c1ccco1.
What is the InChIKey of N-pentylfuran-2-sulfonamide?
The InChIKey is KCGGBKXQCLDJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-2-3-4-7-10-14(11,12)9-6-5-8-13-9/h5-6,8,10H,2-4,7H2,1H3.
What are the key properties of N-pentylfuran-2-sulfonamide?
N-pentylfuran-2-sulfonamide has a molecular weight of 217.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylfuran-2-sulfonamide is sourced from PubChem (CID 21064582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).