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

C9H9ClN2O2S2 — CID 11572651

IUPAC5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene
SMILESNS(=O)(=O)NCc1csc2ccc(Cl)cc12
InChIInChI=1S/C9H9ClN2O2S2/c10-7-1-2-9-8(3-7)6(5-15-9)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
InChIKeyPURBZUVIUSNPGZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP1.85
Rot. Bonds3

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

5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene (PubChem CID 11572651) has the molecular formula C9H9ClN2O2S2 and a molecular weight of 276.77 g/mol. Its IUPAC name is 5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene
PubChem CID11572651
Molecular FormulaC9H9ClN2O2S2
Molecular Weight276.77 g/mol
Exact Mass275.98
IUPAC Name5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene
SMILESNS(=O)(=O)NCc1csc2ccc(Cl)cc12
InChIInChI=1S/C9H9ClN2O2S2/c10-7-1-2-9-8(3-7)6(5-15-9)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14)
InChIKeyPURBZUVIUSNPGZ-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene?
The IUPAC name of 5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene (CID 11572651) is 5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene.
What is the SMILES notation for 5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene?
The canonical SMILES for 5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene is NS(=O)(=O)NCc1csc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene?
The InChIKey is PURBZUVIUSNPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2S2/c10-7-1-2-9-8(3-7)6(5-15-9)4-12-16(11,13)14/h1-3,5,12H,4H2,(H2,11,13,14).
What are the key properties of 5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene?
5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene has a molecular weight of 276.77 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(sulfamoylamino)methyl]-1-benzothiophene is sourced from PubChem (CID 11572651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).