5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide

C13H16ClNO4S2 — CID 71804574

IUPAC5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
SMILESCc1cc(C(O)CCNS(=O)(=O)c2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C13H16ClNO4S2/c1-8-7-10(9(2)19-8)11(16)5-6-15-21(17,18)13-4-3-12(14)20-13/h3-4,7,11,15-16H,5-6H2,1-2H3
InChIKeyWTSYVWHPHLLTDL-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.01
Rot. Bonds6

About 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide

5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide (PubChem CID 71804574) has the molecular formula C13H16ClNO4S2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
PubChem CID71804574
Molecular FormulaC13H16ClNO4S2
Molecular Weight349.86 g/mol
Exact Mass349.02
IUPAC Name5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
SMILESCc1cc(C(O)CCNS(=O)(=O)c2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C13H16ClNO4S2/c1-8-7-10(9(2)19-8)11(16)5-6-15-21(17,18)13-4-3-12(14)20-13/h3-4,7,11,15-16H,5-6H2,1-2H3
InChIKeyWTSYVWHPHLLTDL-UHFFFAOYSA-N
XLogP3.01
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide (CID 71804574) is 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide is Cc1cc(C(O)CCNS(=O)(=O)c2ccc(Cl)s2)c(C)o1.
What is the InChIKey of 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
The InChIKey is WTSYVWHPHLLTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4S2/c1-8-7-10(9(2)19-8)11(16)5-6-15-21(17,18)13-4-3-12(14)20-13/h3-4,7,11,15-16H,5-6H2,1-2H3.
What are the key properties of 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide has a molecular weight of 349.86 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71804574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).