4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide

C12H13NO4S — CID 168524863

IUPAC4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccco2)c(O)c1
InChIInChI=1S/C12H13NO4S/c1-13(2)18(15,16)9-5-6-10(11(14)8-9)12-4-3-7-17-12/h3-8,14H,1-2H3
InChIKeyRXUIEIOMEOKKFS-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.90
Rot. Bonds3

About 4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide

4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide (PubChem CID 168524863) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide
PubChem CID168524863
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Name4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccco2)c(O)c1
InChIInChI=1S/C12H13NO4S/c1-13(2)18(15,16)9-5-6-10(11(14)8-9)12-4-3-7-17-12/h3-8,14H,1-2H3
InChIKeyRXUIEIOMEOKKFS-UHFFFAOYSA-N
XLogP1.90
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide (CID 168524863) is 4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2ccco2)c(O)c1.
What is the InChIKey of 4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is RXUIEIOMEOKKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S/c1-13(2)18(15,16)9-5-6-10(11(14)8-9)12-4-3-7-17-12/h3-8,14H,1-2H3.
What are the key properties of 4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide?
4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-3-hydroxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 168524863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).