N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide

C12H10F3NO3S2 — CID 170502246

IUPACN-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccccc2OC(F)(F)F)s1
InChIInChI=1S/C12H10F3NO3S2/c1-16-21(17,18)11-7-6-10(20-11)8-4-2-3-5-9(8)19-12(13,14)15/h2-7,16H,1H3
InChIKeyRITBSDAACWSOCK-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide

N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 170502246) has the molecular formula C12H10F3NO3S2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID170502246
Molecular FormulaC12H10F3NO3S2
Molecular Weight337.34 g/mol
Exact Mass337.01
IUPAC NameN-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccccc2OC(F)(F)F)s1
InChIInChI=1S/C12H10F3NO3S2/c1-16-21(17,18)11-7-6-10(20-11)8-4-2-3-5-9(8)19-12(13,14)15/h2-7,16H,1H3
InChIKeyRITBSDAACWSOCK-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 170502246) is N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is CNS(=O)(=O)c1ccc(-c2ccccc2OC(F)(F)F)s1.
What is the InChIKey of N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is RITBSDAACWSOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S2/c1-16-21(17,18)11-7-6-10(20-11)8-4-2-3-5-9(8)19-12(13,14)15/h2-7,16H,1H3.
What are the key properties of N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 337.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 170502246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).