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

C9H10N2O2S2 — CID 11687376

IUPAC3-[(sulfamoylamino)methyl]-1-benzothiophene
SMILESNS(=O)(=O)NCc1csc2ccccc12
InChIInChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
InChIKeyAWSKBQNOSRREEY-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.19
Rot. Bonds3

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

3-[(sulfamoylamino)methyl]-1-benzothiophene (PubChem CID 11687376) has the molecular formula C9H10N2O2S2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-[(sulfamoylamino)methyl]-1-benzothiophene.

Molecular Properties

Compound Name3-[(sulfamoylamino)methyl]-1-benzothiophene
PubChem CID11687376
Molecular FormulaC9H10N2O2S2
Molecular Weight242.33 g/mol
Exact Mass242.02
IUPAC Name3-[(sulfamoylamino)methyl]-1-benzothiophene
SMILESNS(=O)(=O)NCc1csc2ccccc12
InChIInChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
InChIKeyAWSKBQNOSRREEY-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(sulfamoylamino)methyl]-1-benzothiophene?
The IUPAC name of 3-[(sulfamoylamino)methyl]-1-benzothiophene (CID 11687376) is 3-[(sulfamoylamino)methyl]-1-benzothiophene.
What is the SMILES notation for 3-[(sulfamoylamino)methyl]-1-benzothiophene?
The canonical SMILES for 3-[(sulfamoylamino)methyl]-1-benzothiophene is NS(=O)(=O)NCc1csc2ccccc12.
What is the InChIKey of 3-[(sulfamoylamino)methyl]-1-benzothiophene?
The InChIKey is AWSKBQNOSRREEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13).
What are the key properties of 3-[(sulfamoylamino)methyl]-1-benzothiophene?
3-[(sulfamoylamino)methyl]-1-benzothiophene has a molecular weight of 242.33 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(sulfamoylamino)methyl]-1-benzothiophene is sourced from PubChem (CID 11687376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).