4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile

C15H9ClN2S — CID 65474945

IUPAC4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc3sccc3c2)c(Cl)c1
InChIInChI=1S/C15H9ClN2S/c16-13-7-10(9-17)1-3-14(13)18-12-2-4-15-11(8-12)5-6-19-15/h1-8,18H
InChIKeyJMWJMHIXGVWTGI-UHFFFAOYSA-N
MW284.77 g/mol
LogP5.17
Rot. Bonds2

About 4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile

4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile (PubChem CID 65474945) has the molecular formula C15H9ClN2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile.

Molecular Properties

Compound Name4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile
PubChem CID65474945
Molecular FormulaC15H9ClN2S
Molecular Weight284.77 g/mol
Exact Mass284.02
IUPAC Name4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile
SMILESN#Cc1ccc(Nc2ccc3sccc3c2)c(Cl)c1
InChIInChI=1S/C15H9ClN2S/c16-13-7-10(9-17)1-3-14(13)18-12-2-4-15-11(8-12)5-6-19-15/h1-8,18H
InChIKeyJMWJMHIXGVWTGI-UHFFFAOYSA-N
XLogP5.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.77
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile?
The IUPAC name of 4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile (CID 65474945) is 4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile.
What is the SMILES notation for 4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile?
The canonical SMILES for 4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile is N#Cc1ccc(Nc2ccc3sccc3c2)c(Cl)c1.
What is the InChIKey of 4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile?
The InChIKey is JMWJMHIXGVWTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2S/c16-13-7-10(9-17)1-3-14(13)18-12-2-4-15-11(8-12)5-6-19-15/h1-8,18H.
What are the key properties of 4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile?
4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile has a molecular weight of 284.77 g/mol, XLogP of 5.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile is sourced from PubChem (CID 65474945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).