4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C20H15ClN2O4S2 — CID 90101631

IUPAC4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(C(O)c2ccc(Cl)cc2-c2ccoc2)cc1
InChIInChI=1S/C20H15ClN2O4S2/c21-15-3-6-17(18(11-15)14-7-9-27-12-14)19(24)13-1-4-16(5-2-13)29(25,26)23-20-22-8-10-28-20/h1-12,19,24H,(H,22,23)
InChIKeyZLZAOSYKDFEZNA-UHFFFAOYSA-N
MW446.94 g/mol
LogP4.94
Rot. Bonds6

About 4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 90101631) has the molecular formula C20H15ClN2O4S2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID90101631
Molecular FormulaC20H15ClN2O4S2
Molecular Weight446.94 g/mol
Exact Mass446.02
IUPAC Name4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccs1)c1ccc(C(O)c2ccc(Cl)cc2-c2ccoc2)cc1
InChIInChI=1S/C20H15ClN2O4S2/c21-15-3-6-17(18(11-15)14-7-9-27-12-14)19(24)13-1-4-16(5-2-13)29(25,26)23-20-22-8-10-28-20/h1-12,19,24H,(H,22,23)
InChIKeyZLZAOSYKDFEZNA-UHFFFAOYSA-N
XLogP4.94
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(2-fluorophenyl)-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90100222
4-[[4-chloro-2-(1H-pyrazol-4-yl)phenyl]-hydroxymethyl]-3-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 90101366
4-[2-(5-chloro-2-methoxyphenyl)-2-oxoethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 58190038
3-cyano-4-[[4-(furan-3-yl)-6-propan-2-yl-3-pyridinyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 177357539
diethyl 2-[(4-chlorophenyl)-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]methyl]propanedioate
CID 166066769
4-(2,5-dihydroxypyrrol-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 54037138
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 41029740
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 1291104
4-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87145959
4-[3-(2,4-dichlorophenoxy)-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 161476283
2,4,5-trichloro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 3577500
4-chloro-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]benzamide
CID 25041464

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 90101631) is 4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccs1)c1ccc(C(O)c2ccc(Cl)cc2-c2ccoc2)cc1.
What is the InChIKey of 4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is ZLZAOSYKDFEZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4S2/c21-15-3-6-17(18(11-15)14-7-9-27-12-14)19(24)13-1-4-16(5-2-13)29(25,26)23-20-22-8-10-28-20/h1-12,19,24H,(H,22,23).
What are the key properties of 4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 446.94 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-2-(furan-3-yl)phenyl]-hydroxymethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 90101631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).