2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide

C13H9ClF3NO3S2 — CID 42100194

IUPAC2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NO3S2/c14-10-4-5-12(22-10)23(20,21)7-11(19)18-9-3-1-2-8(6-9)13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyXHQDOIAWZOYINL-UHFFFAOYSA-N
MW383.80 g/mol
LogP3.83
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 42100194) has the molecular formula C13H9ClF3NO3S2 and a molecular weight of 383.80 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID42100194
Molecular FormulaC13H9ClF3NO3S2
Molecular Weight383.80 g/mol
Exact Mass382.97
IUPAC Name2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9ClF3NO3S2/c14-10-4-5-12(22-10)23(20,21)7-11(19)18-9-3-1-2-8(6-9)13(15,16)17/h1-6H,7H2,(H,18,19)
InChIKeyXHQDOIAWZOYINL-UHFFFAOYSA-N
XLogP3.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenylsulfonyl)-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide
CID 44569507
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfonyl}acetamide
CID 1488185
N-(2-chlorophenyl)-2-{[3-(trifluoromethyl)phenyl]sulfinyl}acetamide
CID 4441219
N-[3,5-Bis(trifluoromethyl)phenyl]-3-[(5-bromothiophen-2-YL)sulfonyl]propanamide
CID 15988737
N-(3-chloro-2-methylphenyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 16031687
N-(2-chloro-5-methylsulfonylphenyl)-2-thiophen-3-ylacetamide
CID 24241482
3-[(5-Bromothiophen-2-YL)sulfonyl]-N-(5-chloro-2-methylphenyl)propanamide
CID 15988711
N-(4-{[(5-chloro-2-thienyl)sulfonyl]amino}phenyl)acetamide
CID 893603
N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]acetamide
CID 2819361
3-(5-bromothiophen-2-yl)sulfonyl-N-(3-chloro-2-methylphenyl)propanamide
CID 15988714
3-(2-Thienyl)-N-(3-(trifluoromethyl)phenyl)-2-propenamide
CID 2164078
N-[4-(difluoromethylsulfonyl)phenyl]-2-thiophen-3-ylacetamide
CID 2453536

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 42100194) is 2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CS(=O)(=O)c1ccc(Cl)s1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XHQDOIAWZOYINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO3S2/c14-10-4-5-12(22-10)23(20,21)7-11(19)18-9-3-1-2-8(6-9)13(15,16)17/h1-6H,7H2,(H,18,19).
What are the key properties of 2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 383.80 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 42100194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).