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

C12H11ClFNO2S2 — CID 2531258

IUPAC3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFNO2S2/c1-15(8-9-3-2-6-18-9)19(16,17)10-4-5-12(14)11(13)7-10/h2-7H,8H2,1H3
InChIKeyIKEWLNNYCDMMFI-UHFFFAOYSA-N
MW319.81 g/mol
LogP3.36
Rot. Bonds4

About 3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 2531258) has the molecular formula C12H11ClFNO2S2 and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID2531258
Molecular FormulaC12H11ClFNO2S2
Molecular Weight319.81 g/mol
Exact Mass318.99
IUPAC Name3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFNO2S2/c1-15(8-9-3-2-6-18-9)19(16,17)10-4-5-12(14)11(13)7-10/h2-7H,8H2,1H3
InChIKeyIKEWLNNYCDMMFI-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((4-Chlorophenyl)sulfonyl)-2-(2-thienyl)pyrrolidine
CID 2805672
N-[(2-chloro-4-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2536317
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 4788611
(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6919104
4-chloro-N-(2-cyanoethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 141519190
(2R)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6929479
2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 2820267
2-chloro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3732014
4-chloro-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4792768
3-chloro-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 25869464
1-[(2-Chlorophenyl)sulfonyl]-2-(2-thienyl)pyrrolidine
CID 20895702
3-chloro-4-fluoro-N-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)benzenesulfonamide
CID 16888277

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 2531258) is 3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is IKEWLNNYCDMMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2S2/c1-15(8-9-3-2-6-18-9)19(16,17)10-4-5-12(14)11(13)7-10/h2-7H,8H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 319.81 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2531258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).