2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

C11H9ClFNO2S2 — CID 3822290

IUPAC2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H9ClFNO2S2/c12-10-6-8(13)3-4-11(10)18(15,16)14-7-9-2-1-5-17-9/h1-6,14H,7H2
InChIKeyMLMRGQIJIUSADL-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide

2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 3822290) has the molecular formula C11H9ClFNO2S2 and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID3822290
Molecular FormulaC11H9ClFNO2S2
Molecular Weight305.78 g/mol
Exact Mass304.97
IUPAC Name2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(F)cc1Cl
InChIInChI=1S/C11H9ClFNO2S2/c12-10-6-8(13)3-4-11(10)18(15,16)14-7-9-2-1-5-17-9/h1-6,14H,7H2
InChIKeyMLMRGQIJIUSADL-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 3822290) is 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MLMRGQIJIUSADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2S2/c12-10-6-8(13)3-4-11(10)18(15,16)14-7-9-2-1-5-17-9/h1-6,14H,7H2.
What are the key properties of 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 305.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3822290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).