4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide

C19H18FNO3S2 — CID 121134240

IUPAC4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc(C(O)c2ccccc2)s1
InChIInChI=1S/C19H18FNO3S2/c1-13-11-15(20)7-10-18(13)26(23,24)21-12-16-8-9-17(25-16)19(22)14-5-3-2-4-6-14/h2-11,19,21-22H,12H2,1H3
InChIKeyXLSZUBRBHXFKSI-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.76
Rot. Bonds6

About 4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide

4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide (PubChem CID 121134240) has the molecular formula C19H18FNO3S2 and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
PubChem CID121134240
Molecular FormulaC19H18FNO3S2
Molecular Weight391.49 g/mol
Exact Mass391.07
IUPAC Name4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1ccc(C(O)c2ccccc2)s1
InChIInChI=1S/C19H18FNO3S2/c1-13-11-15(20)7-10-18(13)26(23,24)21-12-16-8-9-17(25-16)19(22)14-5-3-2-4-6-14/h2-11,19,21-22H,12H2,1H3
InChIKeyXLSZUBRBHXFKSI-UHFFFAOYSA-N
XLogP3.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide (CID 121134240) is 4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(C(O)c2ccccc2)s1.
What is the InChIKey of 4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is XLSZUBRBHXFKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3S2/c1-13-11-15(20)7-10-18(13)26(23,24)21-12-16-8-9-17(25-16)19(22)14-5-3-2-4-6-14/h2-11,19,21-22H,12H2,1H3.
What are the key properties of 4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 121134240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).