N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide

C11H9BrFNO2S2 — CID 47185676

IUPACN-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(Br)ccc1F)c1cccs1
InChIInChI=1S/C11H9BrFNO2S2/c12-9-3-4-10(13)8(6-9)7-14-18(15,16)11-2-1-5-17-11/h1-6,14H,7H2
InChIKeyNHWGCWROSHCXSI-UHFFFAOYSA-N
MW350.23 g/mol
LogP3.13
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide

N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 47185676) has the molecular formula C11H9BrFNO2S2 and a molecular weight of 350.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
PubChem CID47185676
Molecular FormulaC11H9BrFNO2S2
Molecular Weight350.23 g/mol
Exact Mass348.92
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cc(Br)ccc1F)c1cccs1
InChIInChI=1S/C11H9BrFNO2S2/c12-9-3-4-10(13)8(6-9)7-14-18(15,16)11-2-1-5-17-11/h1-6,14H,7H2
InChIKeyNHWGCWROSHCXSI-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
N-[(5-bromo-2-fluorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 86984270
2-amino-5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzenesulfonamide
CID 61298867
3-fluoro-4-[(thiophen-2-ylsulfonylamino)methyl]benzenecarbothioamide
CID 63359251
1-(5-bromo-2-fluorophenyl)-N-(methylsulfamoyl)methanamine
CID 114808753
3-fluoro-N'-hydroxy-4-[(thiophen-2-ylsulfonylamino)methyl]benzenecarboximidamide
CID 76995429
N-[(5-bromo-2-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43225947
N-[2-(2,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 110789033
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 3271736
N-[(5-bromo-2-fluorophenyl)methyl]butane-1-sulfonamide
CID 47363963
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 47318060
N-[(5-bromo-2-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61301023

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide (CID 47185676) is N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1cc(Br)ccc1F)c1cccs1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is NHWGCWROSHCXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO2S2/c12-9-3-4-10(13)8(6-9)7-14-18(15,16)11-2-1-5-17-11/h1-6,14H,7H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide?
N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 350.23 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 47185676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).