2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

C14H15BrFNO2S2 — CID 79488959

IUPAC2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H15BrFNO2S2/c1-10(8-12-4-3-7-20-12)17(2)21(18,19)14-6-5-11(16)9-13(14)15/h3-7,9-10H,8H2,1-2H3
InChIKeyQTNVXUCOSXUHKE-UHFFFAOYSA-N
MW392.32 g/mol
LogP3.90
Rot. Bonds5

About 2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide

2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (PubChem CID 79488959) has the molecular formula C14H15BrFNO2S2 and a molecular weight of 392.32 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
PubChem CID79488959
Molecular FormulaC14H15BrFNO2S2
Molecular Weight392.32 g/mol
Exact Mass390.97
IUPAC Name2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1cccs1)N(C)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C14H15BrFNO2S2/c1-10(8-12-4-3-7-20-12)17(2)21(18,19)14-6-5-11(16)9-13(14)15/h3-7,9-10H,8H2,1-2H3
InChIKeyQTNVXUCOSXUHKE-UHFFFAOYSA-N
XLogP3.90
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304230
4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471427
5-bromo-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488960
5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 80580037
4-amino-3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 82846366
3-amino-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471331
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
CID 99775173
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901
3-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491521
2-[(2-bromo-4-fluorophenyl)sulfonyl-methylamino]propanoic acid
CID 55096582
2,4-dibromo-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47304794

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide (CID 79488959) is 2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is CC(Cc1cccs1)N(C)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is QTNVXUCOSXUHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO2S2/c1-10(8-12-4-3-7-20-12)17(2)21(18,19)14-6-5-11(16)9-13(14)15/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide?
2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 392.32 g/mol, XLogP of 3.90, 5 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-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 79488959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).