5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide

C17H24BrNO4S2 — CID 23001715

IUPAC5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
SMILESCCCCCCC(c1ccco1)C(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C17H24BrNO4S2/c1-2-3-4-5-7-13(15-8-6-11-23-15)14(12-20)19-25(21,22)17-10-9-16(18)24-17/h6,8-11,13-14,19-20H,2-5,7,12H2,1H3
InChIKeyDSPNZMRHYQXMRJ-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.50
Rot. Bonds11

About 5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide

5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide (PubChem CID 23001715) has the molecular formula C17H24BrNO4S2 and a molecular weight of 450.42 g/mol. Its IUPAC name is 5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
PubChem CID23001715
Molecular FormulaC17H24BrNO4S2
Molecular Weight450.42 g/mol
Exact Mass449.03
IUPAC Name5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
SMILESCCCCCCC(c1ccco1)C(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C17H24BrNO4S2/c1-2-3-4-5-7-13(15-8-6-11-23-15)14(12-20)19-25(21,22)17-10-9-16(18)24-17/h6,8-11,13-14,19-20H,2-5,7,12H2,1H3
InChIKeyDSPNZMRHYQXMRJ-UHFFFAOYSA-N
XLogP4.50
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide (CID 23001715) is 5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide is CCCCCCC(c1ccco1)C(CO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide?
The InChIKey is DSPNZMRHYQXMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO4S2/c1-2-3-4-5-7-13(15-8-6-11-23-15)14(12-20)19-25(21,22)17-10-9-16(18)24-17/h6,8-11,13-14,19-20H,2-5,7,12H2,1H3.
What are the key properties of 5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide?
5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide has a molecular weight of 450.42 g/mol, XLogP of 4.50, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 23001715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).