2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile

C15H9ClN2S — CID 65475337

IUPAC2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1ccc2sccc2c1
InChIInChI=1S/C15H9ClN2S/c16-12-1-3-14(11(7-12)9-17)18-13-2-4-15-10(8-13)5-6-19-15/h1-8,18H
InChIKeyUVEDSIKBQDMVPO-UHFFFAOYSA-N
MW284.77 g/mol
LogP5.17
Rot. Bonds2

About 2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile

2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile (PubChem CID 65475337) has the molecular formula C15H9ClN2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile
PubChem CID65475337
Molecular FormulaC15H9ClN2S
Molecular Weight284.77 g/mol
Exact Mass284.02
IUPAC Name2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile
SMILESN#Cc1cc(Cl)ccc1Nc1ccc2sccc2c1
InChIInChI=1S/C15H9ClN2S/c16-12-1-3-14(11(7-12)9-17)18-13-2-4-15-10(8-13)5-6-19-15/h1-8,18H
InChIKeyUVEDSIKBQDMVPO-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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Related Compounds

1-N-(1-benzothiophen-5-yl)-4-chlorobenzene-1,2-diamine
CID 65476209
4-(1-benzothiophen-5-ylamino)-3-chlorobenzonitrile
CID 65474945
2-(1-benzothiophen-5-ylamino)-4-bromobenzonitrile
CID 114901953
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
CID 62492574
5-chloro-2-(4-iodoanilino)benzonitrile
CID 63510924
5-chloro-2-(3-fluoro-4-methylanilino)benzonitrile
CID 63512248
5-chloro-2-(3-cyanoanilino)benzonitrile
CID 55078376
5-chloro-2-(4-propan-2-ylanilino)benzonitrile
CID 63510225
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzonitrile
CID 107574674
4-chloro-2-(4-chloro-2-cyanoanilino)benzonitrile
CID 64916790
5-chloro-2-(3-chloro-5-fluoroanilino)benzonitrile
CID 107366251
4-(1-benzothiophen-5-ylamino)pyridine-2-carbonitrile
CID 65475338

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile?
The IUPAC name of 2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile (CID 65475337) is 2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile.
What is the SMILES notation for 2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile?
The canonical SMILES for 2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile is N#Cc1cc(Cl)ccc1Nc1ccc2sccc2c1.
What is the InChIKey of 2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile?
The InChIKey is UVEDSIKBQDMVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2S/c16-12-1-3-14(11(7-12)9-17)18-13-2-4-15-10(8-13)5-6-19-15/h1-8,18H.
What are the key properties of 2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile?
2-(1-benzothiophen-5-ylamino)-5-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 2-(1-benzothiophen-5-ylamino)-5-chlorobenzonitrile is sourced from PubChem (CID 65475337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).