5-chloro-2-cycloheptylsulfonylaniline

C13H18ClNO2S — CID 82935028

IUPAC5-chloro-2-cycloheptylsulfonylaniline
SMILESNc1cc(Cl)ccc1S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C13H18ClNO2S/c14-10-7-8-13(12(15)9-10)18(16,17)11-5-3-1-2-4-6-11/h7-9,11H,1-6,15H2
InChIKeyONDYODRWNYKBHT-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.42
Rot. Bonds2

About 5-chloro-2-cycloheptylsulfonylaniline

5-chloro-2-cycloheptylsulfonylaniline (PubChem CID 82935028) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 5-chloro-2-cycloheptylsulfonylaniline.

Molecular Properties

Compound Name5-chloro-2-cycloheptylsulfonylaniline
PubChem CID82935028
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name5-chloro-2-cycloheptylsulfonylaniline
SMILESNc1cc(Cl)ccc1S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C13H18ClNO2S/c14-10-7-8-13(12(15)9-10)18(16,17)11-5-3-1-2-4-6-11/h7-9,11H,1-6,15H2
InChIKeyONDYODRWNYKBHT-UHFFFAOYSA-N
XLogP3.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cycloheptylsulfonylaniline?
The IUPAC name of 5-chloro-2-cycloheptylsulfonylaniline (CID 82935028) is 5-chloro-2-cycloheptylsulfonylaniline.
What is the SMILES notation for 5-chloro-2-cycloheptylsulfonylaniline?
The canonical SMILES for 5-chloro-2-cycloheptylsulfonylaniline is Nc1cc(Cl)ccc1S(=O)(=O)C1CCCCCC1.
What is the InChIKey of 5-chloro-2-cycloheptylsulfonylaniline?
The InChIKey is ONDYODRWNYKBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c14-10-7-8-13(12(15)9-10)18(16,17)11-5-3-1-2-4-6-11/h7-9,11H,1-6,15H2.
What are the key properties of 5-chloro-2-cycloheptylsulfonylaniline?
5-chloro-2-cycloheptylsulfonylaniline has a molecular weight of 287.81 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cycloheptylsulfonylaniline is sourced from PubChem (CID 82935028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).