5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide

C11H9ClFNO3S2 — CID 103100135

IUPAC5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)sc1Cl
InChIInChI=1S/C11H9ClFNO3S2/c1-6-4-10(18-11(6)12)19(16,17)14-7-2-3-9(15)8(13)5-7/h2-5,14-15H,1H3
InChIKeyZROAURVDTGWRCH-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.36
Rot. Bonds3

About 5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide

5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 103100135) has the molecular formula C11H9ClFNO3S2 and a molecular weight of 321.78 g/mol. Its IUPAC name is 5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
PubChem CID103100135
Molecular FormulaC11H9ClFNO3S2
Molecular Weight321.78 g/mol
Exact Mass320.97
IUPAC Name5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)sc1Cl
InChIInChI=1S/C11H9ClFNO3S2/c1-6-4-10(18-11(6)12)19(16,17)14-7-2-3-9(15)8(13)5-7/h2-5,14-15H,1H3
InChIKeyZROAURVDTGWRCH-UHFFFAOYSA-N
XLogP3.36
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide (CID 103100135) is 5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)sc1Cl.
What is the InChIKey of 5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is ZROAURVDTGWRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO3S2/c1-6-4-10(18-11(6)12)19(16,17)14-7-2-3-9(15)8(13)5-7/h2-5,14-15H,1H3.
What are the key properties of 5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide?
5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 321.78 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-fluoro-4-hydroxyphenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 103100135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).