2-[(2-chlorothiophen-3-yl)amino]benzonitrile

C11H7ClN2S — CID 138481835

IUPAC2-[(2-chlorothiophen-3-yl)amino]benzonitrile
SMILESN#Cc1ccccc1Nc1ccsc1Cl
InChIInChI=1S/C11H7ClN2S/c12-11-10(5-6-15-11)14-9-4-2-1-3-8(9)7-13/h1-6,14H
InChIKeyOJXDHUJTSRKQGN-UHFFFAOYSA-N
MW234.71 g/mol
LogP4.02
Rot. Bonds2

About 2-[(2-chlorothiophen-3-yl)amino]benzonitrile

2-[(2-chlorothiophen-3-yl)amino]benzonitrile (PubChem CID 138481835) has the molecular formula C11H7ClN2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 2-[(2-chlorothiophen-3-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(2-chlorothiophen-3-yl)amino]benzonitrile
PubChem CID138481835
Molecular FormulaC11H7ClN2S
Molecular Weight234.71 g/mol
Exact Mass234.00
IUPAC Name2-[(2-chlorothiophen-3-yl)amino]benzonitrile
SMILESN#Cc1ccccc1Nc1ccsc1Cl
InChIInChI=1S/C11H7ClN2S/c12-11-10(5-6-15-11)14-9-4-2-1-3-8(9)7-13/h1-6,14H
InChIKeyOJXDHUJTSRKQGN-UHFFFAOYSA-N
XLogP4.02
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chlorothiophene-3-carbonitrile
CID 14710956
2-(2-bromoanilino)benzonitrile
CID 28602037
2-(2-bromo-4-chloroanilino)benzonitrile
CID 81271318
2-(2-amino-5-chloroanilino)benzonitrile
CID 113315594
5-chloro-2-(2-cyanoanilino)benzoic acid
CID 63538465
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
2-(2,5-dimethylanilino)benzonitrile
CID 11746208
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile
CID 28550578
2-(quinolin-8-ylamino)benzonitrile
CID 28601412
3-bromo-N-(2-cyanophenyl)thiophene-2-carboxamide
CID 63172712
2-[[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877966

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorothiophen-3-yl)amino]benzonitrile?
The IUPAC name of 2-[(2-chlorothiophen-3-yl)amino]benzonitrile (CID 138481835) is 2-[(2-chlorothiophen-3-yl)amino]benzonitrile.
What is the SMILES notation for 2-[(2-chlorothiophen-3-yl)amino]benzonitrile?
The canonical SMILES for 2-[(2-chlorothiophen-3-yl)amino]benzonitrile is N#Cc1ccccc1Nc1ccsc1Cl.
What is the InChIKey of 2-[(2-chlorothiophen-3-yl)amino]benzonitrile?
The InChIKey is OJXDHUJTSRKQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2S/c12-11-10(5-6-15-11)14-9-4-2-1-3-8(9)7-13/h1-6,14H.
What are the key properties of 2-[(2-chlorothiophen-3-yl)amino]benzonitrile?
2-[(2-chlorothiophen-3-yl)amino]benzonitrile has a molecular weight of 234.71 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorothiophen-3-yl)amino]benzonitrile is sourced from PubChem (CID 138481835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).