2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile

C17H10ClNS — CID 63538597

IUPAC2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile
SMILESN#Cc1ccc(Sc2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C17H10ClNS/c18-17-10-16(8-6-14(17)11-19)20-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H
InChIKeyHNQBVJDITIXZTG-UHFFFAOYSA-N
MW295.79 g/mol
LogP5.52
Rot. Bonds2

About 2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile

2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile (PubChem CID 63538597) has the molecular formula C17H10ClNS and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile.

Molecular Properties

Compound Name2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile
PubChem CID63538597
Molecular FormulaC17H10ClNS
Molecular Weight295.79 g/mol
Exact Mass295.02
IUPAC Name2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile
SMILESN#Cc1ccc(Sc2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C17H10ClNS/c18-17-10-16(8-6-14(17)11-19)20-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H
InChIKeyHNQBVJDITIXZTG-UHFFFAOYSA-N
XLogP5.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.79
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(3-hydroxyphenyl)sulfanylbenzonitrile
CID 104590955
2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile
CID 62946841
2-chloro-4-(4-nitrophenyl)sulfanylbenzonitrile
CID 62948505
4,5-dichloro-3,6-bis(naphthalen-2-ylsulfanyl)benzene-1,2-dicarbonitrile
CID 142744257
4-(3,4-dichlorophenyl)sulfanyl-2-methylbenzonitrile
CID 81282287
4-(2-chlorophenyl)sulfanyl-2-methylbenzonitrile
CID 59604553
naphthalene-2,3-dicarbonitrile
CID 601270
2-chloro-4-(1-methyltetrazol-5-yl)sulfanylbenzonitrile
CID 62946839
2-(naphthalen-2-ylsulfanylmethyl)benzonitrile
CID 7571368
2-(4-nitrophenyl)sulfanylnaphthalene
CID 18971685
3,5-dichloro-4-naphthalen-2-ylsulfanylaniline
CID 22148834
4-[(6-amino-1,3-benzoxazol-2-yl)sulfanyl]-2-chlorobenzonitrile
CID 62945410

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile?
The IUPAC name of 2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile (CID 63538597) is 2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile.
What is the SMILES notation for 2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile?
The canonical SMILES for 2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile is N#Cc1ccc(Sc2ccc3ccccc3c2)cc1Cl.
What is the InChIKey of 2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile?
The InChIKey is HNQBVJDITIXZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClNS/c18-17-10-16(8-6-14(17)11-19)20-15-7-5-12-3-1-2-4-13(12)9-15/h1-10H.
What are the key properties of 2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile?
2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile has a molecular weight of 295.79 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile is sourced from PubChem (CID 63538597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).