3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide

C13H13ClFNO3S2 — CID 56764053

IUPAC3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H13ClFNO3S2/c1-8-4-5-20-13(8)12(17)7-16-21(18,19)9-2-3-11(15)10(14)6-9/h2-6,12,16-17H,7H2,1H3
InChIKeyHHZBPYNKDYCKEP-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.86
Rot. Bonds5

About 3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide

3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 56764053) has the molecular formula C13H13ClFNO3S2 and a molecular weight of 349.84 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID56764053
Molecular FormulaC13H13ClFNO3S2
Molecular Weight349.84 g/mol
Exact Mass349.00
IUPAC Name3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCc1ccsc1C(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H13ClFNO3S2/c1-8-4-5-20-13(8)12(17)7-16-21(18,19)9-2-3-11(15)10(14)6-9/h2-6,12,16-17H,7H2,1H3
InChIKeyHHZBPYNKDYCKEP-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 56764053) is 3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide is Cc1ccsc1C(O)CNS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is HHZBPYNKDYCKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO3S2/c1-8-4-5-20-13(8)12(17)7-16-21(18,19)9-2-3-11(15)10(14)6-9/h2-6,12,16-17H,7H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 349.84 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 56764053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).