2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide

C13H12BrFN2O3S2 — CID 15994234

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc(F)cc1
InChIInChI=1S/C13H12BrFN2O3S2/c14-11-5-6-13(21-11)22(19,20)17-8-12(18)16-7-9-1-3-10(15)4-2-9/h1-6,17H,7-8H2,(H,16,18)
InChIKeyULZAWMKWPJIXSQ-UHFFFAOYSA-N
MW407.29 g/mol
LogP2.24
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 15994234) has the molecular formula C13H12BrFN2O3S2 and a molecular weight of 407.29 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID15994234
Molecular FormulaC13H12BrFN2O3S2
Molecular Weight407.29 g/mol
Exact Mass405.95
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc(F)cc1
InChIInChI=1S/C13H12BrFN2O3S2/c14-11-5-6-13(21-11)22(19,20)17-8-12(18)16-7-9-1-3-10(15)4-2-9/h1-6,17H,7-8H2,(H,16,18)
InChIKeyULZAWMKWPJIXSQ-UHFFFAOYSA-N
XLogP2.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 15994234) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide is O=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ULZAWMKWPJIXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3S2/c14-11-5-6-13(21-11)22(19,20)17-8-12(18)16-7-9-1-3-10(15)4-2-9/h1-6,17H,7-8H2,(H,16,18).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 407.29 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 15994234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).