N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide

C12H10BrFN2O3S2 — CID 61061547

IUPACN-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2sccc2Br)c1
InChIInChI=1S/C12H10BrFN2O3S2/c1-7(17)15-8-2-3-10(14)11(6-8)16-21(18,19)12-9(13)4-5-20-12/h2-6,16H,1H3,(H,15,17)
InChIKeyDQPIUTJJCAFPMD-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.41
Rot. Bonds4

About N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide

N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide (PubChem CID 61061547) has the molecular formula C12H10BrFN2O3S2 and a molecular weight of 393.26 g/mol. Its IUPAC name is N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide
PubChem CID61061547
Molecular FormulaC12H10BrFN2O3S2
Molecular Weight393.26 g/mol
Exact Mass391.93
IUPAC NameN-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)c2sccc2Br)c1
InChIInChI=1S/C12H10BrFN2O3S2/c1-7(17)15-8-2-3-10(14)11(6-8)16-21(18,19)12-9(13)4-5-20-12/h2-6,16H,1H3,(H,15,17)
InChIKeyDQPIUTJJCAFPMD-UHFFFAOYSA-N
XLogP3.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(3-chloro-4-fluorophenyl)thiophene-2-sulfonamide
CID 61063460
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 134040597
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
2-[(3-bromothiophen-2-yl)sulfonylamino]-5-fluorobenzoic acid
CID 61061552
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610
3-bromo-N-(2,4,5-trichlorophenyl)thiophene-2-sulfonamide
CID 61456145
3-bromo-N-(4-chloro-2-iodophenyl)thiophene-2-sulfonamide
CID 107629908
2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid
CID 61455348
N-(2-amino-4-fluorophenyl)-3-bromothiophene-2-sulfonamide
CID 54947239
3-bromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-sulfonamide
CID 63997607
N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide
CID 55895951
3-bromo-N-(4-methylsulfonylphenyl)thiophene-2-sulfonamide
CID 61061972

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide (CID 61061547) is N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2sccc2Br)c1.
What is the InChIKey of N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide?
The InChIKey is DQPIUTJJCAFPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O3S2/c1-7(17)15-8-2-3-10(14)11(6-8)16-21(18,19)12-9(13)4-5-20-12/h2-6,16H,1H3,(H,15,17).
What are the key properties of N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide?
N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide has a molecular weight of 393.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-bromothiophen-2-yl)sulfonylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 61061547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).