2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide

C18H12BrF3N2O4S2 — CID 10301663

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C18H12BrF3N2O4S2/c19-15-8-9-16(29-15)30(26,27)24-14-7-2-1-6-13(14)17(25)23-11-4-3-5-12(10-11)28-18(20,21)22/h1-10,24H,(H,23,25)
InChIKeyKWBPWLFMDXVPPG-UHFFFAOYSA-N
MW521.34 g/mol
LogP5.46
Rot. Bonds6

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide (PubChem CID 10301663) has the molecular formula C18H12BrF3N2O4S2 and a molecular weight of 521.34 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide
PubChem CID10301663
Molecular FormulaC18H12BrF3N2O4S2
Molecular Weight521.34 g/mol
Exact Mass519.94
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C18H12BrF3N2O4S2/c19-15-8-9-16(29-15)30(26,27)24-14-7-2-1-6-13(14)17(25)23-11-4-3-5-12(10-11)28-18(20,21)22/h1-10,24H,(H,23,25)
InChIKeyKWBPWLFMDXVPPG-UHFFFAOYSA-N
XLogP5.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.34
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide (CID 10301663) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is KWBPWLFMDXVPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2O4S2/c19-15-8-9-16(29-15)30(26,27)24-14-7-2-1-6-13(14)17(25)23-11-4-3-5-12(10-11)28-18(20,21)22/h1-10,24H,(H,23,25).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 521.34 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 10301663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).