2-amino-6-naphthalen-2-ylsulfonylbenzonitrile

C17H12N2O2S — CID 5327619

IUPAC2-amino-6-naphthalen-2-ylsulfonylbenzonitrile
SMILESN#Cc1c(N)cccc1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H12N2O2S/c18-11-15-16(19)6-3-7-17(15)22(20,21)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,19H2
InChIKeySSBDRFPTUIJDHD-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.13
Rot. Bonds2

About 2-amino-6-naphthalen-2-ylsulfonylbenzonitrile

2-amino-6-naphthalen-2-ylsulfonylbenzonitrile (PubChem CID 5327619) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-amino-6-naphthalen-2-ylsulfonylbenzonitrile.

Molecular Properties

Compound Name2-amino-6-naphthalen-2-ylsulfonylbenzonitrile
PubChem CID5327619
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name2-amino-6-naphthalen-2-ylsulfonylbenzonitrile
SMILESN#Cc1c(N)cccc1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H12N2O2S/c18-11-15-16(19)6-3-7-17(15)22(20,21)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,19H2
InChIKeySSBDRFPTUIJDHD-UHFFFAOYSA-N
XLogP3.13
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-naphthalen-2-ylsulfonylbenzonitrile?
The IUPAC name of 2-amino-6-naphthalen-2-ylsulfonylbenzonitrile (CID 5327619) is 2-amino-6-naphthalen-2-ylsulfonylbenzonitrile.
What is the SMILES notation for 2-amino-6-naphthalen-2-ylsulfonylbenzonitrile?
The canonical SMILES for 2-amino-6-naphthalen-2-ylsulfonylbenzonitrile is N#Cc1c(N)cccc1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-amino-6-naphthalen-2-ylsulfonylbenzonitrile?
The InChIKey is SSBDRFPTUIJDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c18-11-15-16(19)6-3-7-17(15)22(20,21)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,19H2.
What are the key properties of 2-amino-6-naphthalen-2-ylsulfonylbenzonitrile?
2-amino-6-naphthalen-2-ylsulfonylbenzonitrile has a molecular weight of 308.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-naphthalen-2-ylsulfonylbenzonitrile is sourced from PubChem (CID 5327619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).