N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide

C19H17N3O4S2 — CID 124891780

IUPACN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC[C@](O)(c1ccsc1)c1ccco1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H17N3O4S2/c23-19(15-8-12-27-13-15,18-3-1-11-26-18)14-21-28(24,25)17-6-4-16(5-7-17)22-10-2-9-20-22/h1-13,21,23H,14H2/t19-/m0/s1
InChIKeyGOODSXIEIJVTBV-IBGZPJMESA-N
MW415.50 g/mol
LogP2.74
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 124891780) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID124891780
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC[C@](O)(c1ccsc1)c1ccco1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H17N3O4S2/c23-19(15-8-12-27-13-15,18-3-1-11-26-18)14-21-28(24,25)17-6-4-16(5-7-17)22-10-2-9-20-22/h1-13,21,23H,14H2/t19-/m0/s1
InChIKeyGOODSXIEIJVTBV-IBGZPJMESA-N
XLogP2.74
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 121170267
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]pyridine-3-sulfonamide
CID 126850772
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 124892244
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 119101141
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 119101140
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]benzenesulfonamide
CID 129354958
3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
CID 124727367
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 124761482
N-[(2R)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 100691082
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 121170241
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124892290
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-(4-methylsulfonylphenyl)propanamide
CID 124727836

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 124891780) is N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NC[C@](O)(c1ccsc1)c1ccco1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is GOODSXIEIJVTBV-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17N3O4S2/c23-19(15-8-12-27-13-15,18-3-1-11-26-18)14-21-28(24,25)17-6-4-16(5-7-17)22-10-2-9-20-22/h1-13,21,23H,14H2/t19-/m0/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 415.50 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 124891780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).