2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

C13H10ClF3N2O3S2 — CID 8843602

IUPAC2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClF3N2O3S2/c14-10-5-6-11(23-10)24(21,22)19-9-4-2-1-3-8(9)12(20)18-7-13(15,16)17/h1-6,19H,7H2,(H,18,20)
InChIKeyPAWDJMKXWZKLMR-UHFFFAOYSA-N
MW398.82 g/mol
LogP3.49
Rot. Bonds5

About 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide

2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 8843602) has the molecular formula C13H10ClF3N2O3S2 and a molecular weight of 398.82 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID8843602
Molecular FormulaC13H10ClF3N2O3S2
Molecular Weight398.82 g/mol
Exact Mass397.98
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10ClF3N2O3S2/c14-10-5-6-11(23-10)24(21,22)19-9-4-2-1-3-8(9)12(20)18-7-13(15,16)17/h1-6,19H,7H2,(H,18,20)
InChIKeyPAWDJMKXWZKLMR-UHFFFAOYSA-N
XLogP3.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 8843602) is 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PAWDJMKXWZKLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2O3S2/c14-10-5-6-11(23-10)24(21,22)19-9-4-2-1-3-8(9)12(20)18-7-13(15,16)17/h1-6,19H,7H2,(H,18,20).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 398.82 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 8843602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).