N-(2-chloro-1-benzothiophen-3-yl)formamide

C9H6ClNOS — CID 54075456

IUPACN-(2-chloro-1-benzothiophen-3-yl)formamide
SMILESO=CNc1c(Cl)sc2ccccc12
InChIInChI=1S/C9H6ClNOS/c10-9-8(11-5-12)6-3-1-2-4-7(6)13-9/h1-5H,(H,11,12)
InChIKeyPKJRWRXWALJBBU-UHFFFAOYSA-N
MW211.67 g/mol
LogP3.12
Rot. Bonds2

About N-(2-chloro-1-benzothiophen-3-yl)formamide

N-(2-chloro-1-benzothiophen-3-yl)formamide (PubChem CID 54075456) has the molecular formula C9H6ClNOS and a molecular weight of 211.67 g/mol. Its IUPAC name is N-(2-chloro-1-benzothiophen-3-yl)formamide.

Molecular Properties

Compound NameN-(2-chloro-1-benzothiophen-3-yl)formamide
PubChem CID54075456
Molecular FormulaC9H6ClNOS
Molecular Weight211.67 g/mol
Exact Mass210.99
IUPAC NameN-(2-chloro-1-benzothiophen-3-yl)formamide
SMILESO=CNc1c(Cl)sc2ccccc12
InChIInChI=1S/C9H6ClNOS/c10-9-8(11-5-12)6-3-1-2-4-7(6)13-9/h1-5H,(H,11,12)
InChIKeyPKJRWRXWALJBBU-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.67
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-benzothiophen-3-yl)formamide?
The IUPAC name of N-(2-chloro-1-benzothiophen-3-yl)formamide (CID 54075456) is N-(2-chloro-1-benzothiophen-3-yl)formamide.
What is the SMILES notation for N-(2-chloro-1-benzothiophen-3-yl)formamide?
The canonical SMILES for N-(2-chloro-1-benzothiophen-3-yl)formamide is O=CNc1c(Cl)sc2ccccc12.
What is the InChIKey of N-(2-chloro-1-benzothiophen-3-yl)formamide?
The InChIKey is PKJRWRXWALJBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNOS/c10-9-8(11-5-12)6-3-1-2-4-7(6)13-9/h1-5H,(H,11,12).
What are the key properties of N-(2-chloro-1-benzothiophen-3-yl)formamide?
N-(2-chloro-1-benzothiophen-3-yl)formamide has a molecular weight of 211.67 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-benzothiophen-3-yl)formamide is sourced from PubChem (CID 54075456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).