2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C12H11BrFNO2S2 — CID 47304230

IUPAC2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H11BrFNO2S2/c1-15(8-10-3-2-6-18-10)19(16,17)12-5-4-9(14)7-11(12)13/h2-7H,8H2,1H3
InChIKeyBDWXKDMDVVYEGL-UHFFFAOYSA-N
MW364.26 g/mol
LogP3.47
Rot. Bonds4

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

2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 47304230) has the molecular formula C12H11BrFNO2S2 and a molecular weight of 364.26 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID47304230
Molecular FormulaC12H11BrFNO2S2
Molecular Weight364.26 g/mol
Exact Mass362.94
IUPAC Name2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H11BrFNO2S2/c1-15(8-10-3-2-6-18-10)19(16,17)12-5-4-9(14)7-11(12)13/h2-7H,8H2,1H3
InChIKeyBDWXKDMDVVYEGL-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304794
4-fluoro-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47148979
2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488959
2-bromo-4,5-dimethoxy-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9188295
4-bromo-3-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 113242535
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
2-bromo-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 47257761
4-fluoro-3-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238358
2-bromo-4-fluoro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 52697144
5-(aminomethyl)-2,3-difluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 105119593
5-amino-2-chloro-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61111716
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 47304230) is 2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is CN(Cc1cccs1)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is BDWXKDMDVVYEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2S2/c1-15(8-10-3-2-6-18-10)19(16,17)12-5-4-9(14)7-11(12)13/h2-7H,8H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 364.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 47304230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).