5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide

C17H24ClNO4S2 — CID 66929724

IUPAC5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
SMILESCCCCCC[C@@H](c1ccco1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H24ClNO4S2/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/t13-,14-/m1/s1
InChIKeyGGWBQXRIUZQULF-ZIAGYGMSSA-N
MW405.97 g/mol
LogP4.39
Rot. Bonds11

About 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide

5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide (PubChem CID 66929724) has the molecular formula C17H24ClNO4S2 and a molecular weight of 405.97 g/mol. Its IUPAC name is 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
PubChem CID66929724
Molecular FormulaC17H24ClNO4S2
Molecular Weight405.97 g/mol
Exact Mass405.08
IUPAC Name5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
SMILESCCCCCC[C@@H](c1ccco1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H24ClNO4S2/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/t13-,14-/m1/s1
InChIKeyGGWBQXRIUZQULF-ZIAGYGMSSA-N
XLogP4.39
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide with MolForge

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Related Compounds

5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 23001715
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenyloctan-2-yl]thiophene-2-sulfonamide
CID 66929777
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 66929668
5-chloro-N-[(2R,3R)-1-hydroxy-3-propylnonan-2-yl]thiophene-2-sulfonamide
CID 10110420
5-chloro-N-[(2S,3S)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 44571758
5-chloro-N-(1-hydroxy-3-methylnonan-2-yl)thiophene-2-sulfonamide
CID 22500801
5-chloro-N-(1-hydroxy-3-propylnonan-2-yl)thiophene-2-sulfonamide
CID 22500763
5-chloro-N-(1-hydroxyheptan-2-yl)thiophene-2-sulfonamide
CID 68540037
5-chloro-N-[(2S,3S)-1-hydroxy-3-phenylhexan-2-yl]thiophene-2-sulfonamide
CID 66930190
5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide
CID 10294016
5-bromo-N-[3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 22500884
5-bromo-N-[(2S,3R)-3-ethyl-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929812

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide (CID 66929724) is 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide is CCCCCC[C@@H](c1ccco1)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide?
The InChIKey is GGWBQXRIUZQULF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24ClNO4S2/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/t13-,14-/m1/s1.
What are the key properties of 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide?
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide has a molecular weight of 405.97 g/mol, XLogP of 4.39, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66929724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).