N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide

C12H11BrFNO2S2 — CID 7685512

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccc(Br)cc1F)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11BrFNO2S2/c1-15(19(16,17)12-3-2-6-18-12)8-9-4-5-10(13)7-11(9)14/h2-7H,8H2,1H3
InChIKeyNQNIKOXUKAQWRU-UHFFFAOYSA-N
MW364.26 g/mol
LogP3.47
Rot. Bonds4

About N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide

N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 7685512) has the molecular formula C12H11BrFNO2S2 and a molecular weight of 364.26 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID7685512
Molecular FormulaC12H11BrFNO2S2
Molecular Weight364.26 g/mol
Exact Mass362.94
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCN(Cc1ccc(Br)cc1F)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11BrFNO2S2/c1-15(19(16,17)12-3-2-6-18-12)8-9-4-5-10(13)7-11(9)14/h2-7H,8H2,1H3
InChIKeyNQNIKOXUKAQWRU-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide (CID 7685512) is N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide is CN(Cc1ccc(Br)cc1F)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is NQNIKOXUKAQWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO2S2/c1-15(19(16,17)12-3-2-6-18-12)8-9-4-5-10(13)7-11(9)14/h2-7H,8H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide?
N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide 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 N-[(4-bromo-2-fluorophenyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 7685512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).