5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide

C10H14Cl3NO3S — CID 5003834

IUPAC5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide
SMILESO=S(=O)(CCCCC(Cl)(Cl)Cl)NCc1ccco1
InChIInChI=1S/C10H14Cl3NO3S/c11-10(12,13)5-1-2-7-18(15,16)14-8-9-4-3-6-17-9/h3-4,6,14H,1-2,5,7-8H2
InChIKeyXBCBWWOESPGWHV-UHFFFAOYSA-N
MW334.65 g/mol
LogP3.24
Rot. Bonds7

About 5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide

5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide (PubChem CID 5003834) has the molecular formula C10H14Cl3NO3S and a molecular weight of 334.65 g/mol. Its IUPAC name is 5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide.

Molecular Properties

Compound Name5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide
PubChem CID5003834
Molecular FormulaC10H14Cl3NO3S
Molecular Weight334.65 g/mol
Exact Mass332.98
IUPAC Name5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide
SMILESO=S(=O)(CCCCC(Cl)(Cl)Cl)NCc1ccco1
InChIInChI=1S/C10H14Cl3NO3S/c11-10(12,13)5-1-2-7-18(15,16)14-8-9-4-3-6-17-9/h3-4,6,14H,1-2,5,7-8H2
InChIKeyXBCBWWOESPGWHV-UHFFFAOYSA-N
XLogP3.24
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.65
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide?
The IUPAC name of 5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide (CID 5003834) is 5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide.
What is the SMILES notation for 5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide?
The canonical SMILES for 5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide is O=S(=O)(CCCCC(Cl)(Cl)Cl)NCc1ccco1.
What is the InChIKey of 5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide?
The InChIKey is XBCBWWOESPGWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl3NO3S/c11-10(12,13)5-1-2-7-18(15,16)14-8-9-4-3-6-17-9/h3-4,6,14H,1-2,5,7-8H2.
What are the key properties of 5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide?
5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide has a molecular weight of 334.65 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trichloro-N-(furan-2-ylmethyl)pentane-1-sulfonamide is sourced from PubChem (CID 5003834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).