3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene

C10H9F3N2O2S2 — CID 24805039

IUPAC3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene
SMILESNS(=O)(=O)NCc1csc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H9F3N2O2S2/c11-10(12,13)7-1-2-9-8(3-7)6(5-18-9)4-15-19(14,16)17/h1-3,5,15H,4H2,(H2,14,16,17)
InChIKeyHVECTQXQYVOAIH-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.21
Rot. Bonds3

About 3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene

3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene (PubChem CID 24805039) has the molecular formula C10H9F3N2O2S2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene
PubChem CID24805039
Molecular FormulaC10H9F3N2O2S2
Molecular Weight310.32 g/mol
Exact Mass310.01
IUPAC Name3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene
SMILESNS(=O)(=O)NCc1csc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H9F3N2O2S2/c11-10(12,13)7-1-2-9-8(3-7)6(5-18-9)4-15-19(14,16)17/h1-3,5,15H,4H2,(H2,14,16,17)
InChIKeyHVECTQXQYVOAIH-UHFFFAOYSA-N
XLogP2.21
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene?
The IUPAC name of 3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene (CID 24805039) is 3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene.
What is the SMILES notation for 3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene?
The canonical SMILES for 3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene is NS(=O)(=O)NCc1csc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene?
The InChIKey is HVECTQXQYVOAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S2/c11-10(12,13)7-1-2-9-8(3-7)6(5-18-9)4-15-19(14,16)17/h1-3,5,15H,4H2,(H2,14,16,17).
What are the key properties of 3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene?
3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene has a molecular weight of 310.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(sulfamoylamino)methyl]-5-(trifluoromethyl)-1-benzothiophene is sourced from PubChem (CID 24805039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).