[4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate

C17H15NO6S — CID 90080934

IUPAC[4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NS(C)(=O)=O)oc(-c2cccc3ccccc23)c1O
InChIInChI=1S/C17H15NO6S/c1-10(19)23-16-14(20)15(24-17(16)18-25(2,21)22)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18,20H,1-2H3
InChIKeyUVRKAMNPYSHNIR-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.10
Rot. Bonds4

About [4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate

[4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate (PubChem CID 90080934) has the molecular formula C17H15NO6S and a molecular weight of 361.38 g/mol. Its IUPAC name is [4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate.

Molecular Properties

Compound Name[4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate
PubChem CID90080934
Molecular FormulaC17H15NO6S
Molecular Weight361.38 g/mol
Exact Mass361.06
IUPAC Name[4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate
SMILESCC(=O)Oc1c(NS(C)(=O)=O)oc(-c2cccc3ccccc23)c1O
InChIInChI=1S/C17H15NO6S/c1-10(19)23-16-14(20)15(24-17(16)18-25(2,21)22)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18,20H,1-2H3
InChIKeyUVRKAMNPYSHNIR-UHFFFAOYSA-N
XLogP3.10
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3,5-dichlorophenyl)-4-hydroxy-2-(methanesulfonamido)furan-3-yl] acetate
CID 90080921
[2-(benzenesulfonamido)-5-(3-chloro-2-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081582
[2-acetamido-5-(2-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082086
[2-acetamido-5-(2,3-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082113
[3-acetyloxy-5-(2,3-dimethoxyphenyl)-4-hydroxyfuran-2-yl]carbamic acid
CID 152514048
[2-(benzenesulfonamido)-5-(3,5-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081276
[2-(benzenesulfonamido)-5-(2-chloro-6-fluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081966
[2-(benzenesulfonamido)-5-(3,4-difluorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90081480
[2-benzamido-5-(4-chlorophenyl)-4-hydroxyfuran-3-yl] acetate
CID 90082257
4-(3-bromo-2-ethylphenyl)-5-(methylamino)-2-naphthalen-1-ylfuran-3-ol
CID 54179756
(2,3-dihydroxynaphthalen-1-yl) acetate
CID 154088408
[2-(ethoxycarbonylamino)-5-(furan-2-yl)-4-hydroxyfuran-3-yl] acetate
CID 90081391

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate?
The IUPAC name of [4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate (CID 90080934) is [4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate.
What is the SMILES notation for [4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate?
The canonical SMILES for [4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate is CC(=O)Oc1c(NS(C)(=O)=O)oc(-c2cccc3ccccc23)c1O.
What is the InChIKey of [4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate?
The InChIKey is UVRKAMNPYSHNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6S/c1-10(19)23-16-14(20)15(24-17(16)18-25(2,21)22)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,18,20H,1-2H3.
What are the key properties of [4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate?
[4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate has a molecular weight of 361.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-2-(methanesulfonamido)-5-naphthalen-1-ylfuran-3-yl] acetate is sourced from PubChem (CID 90080934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).