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

C11H12ClNO4S2 — CID 90523835

IUPAC5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC(O)c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClNO4S2/c12-10-3-4-11(18-10)19(15,16)13-6-5-8(14)9-2-1-7-17-9/h1-4,7-8,13-14H,5-6H2
InChIKeyHSLIUHWVRUASFR-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.40
Rot. Bonds6

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

5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide (PubChem CID 90523835) has the molecular formula C11H12ClNO4S2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
PubChem CID90523835
Molecular FormulaC11H12ClNO4S2
Molecular Weight321.81 g/mol
Exact Mass320.99
IUPAC Name5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCC(O)c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClNO4S2/c12-10-3-4-11(18-10)19(15,16)13-6-5-8(14)9-2-1-7-17-9/h1-4,7-8,13-14H,5-6H2
InChIKeyHSLIUHWVRUASFR-UHFFFAOYSA-N
XLogP2.40
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]benzenesulfonamide
CID 71787723
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
CID 97414328
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-carboxamide
CID 71787678
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-5-chlorothiophene-2-sulfonamide
CID 71804352
1-bromo-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523810
1-(2-chlorophenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]methanesulfonamide
CID 90523851
N-[3-(furan-2-yl)-3-hydroxypropyl]propane-1-sulfonamide
CID 90523800
5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 41246917
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 66929668
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 66929724
N-(5-chlorothiophen-2-yl)sulfonylfuran-2-carboxamide
CID 47108903
5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide
CID 90523863

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide (CID 90523835) is 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide is O=S(=O)(NCCC(O)c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
The InChIKey is HSLIUHWVRUASFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S2/c12-10-3-4-11(18-10)19(15,16)13-6-5-8(14)9-2-1-7-17-9/h1-4,7-8,13-14H,5-6H2.
What are the key properties of 5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide has a molecular weight of 321.81 g/mol, XLogP of 2.40, 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-(furan-2-yl)-3-hydroxypropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 90523835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).