N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide

C11H13Cl2NO2S — CID 2805893

IUPACN-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1CC1(Cl)Cl)c1ccccc1
InChIInChI=1S/C11H13Cl2NO2S/c12-11(13)8-9(11)6-7-14-17(15,16)10-4-2-1-3-5-10/h1-5,9,14H,6-8H2
InChIKeyYFJQTQZPCQKITB-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide

N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide (PubChem CID 2805893) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide
PubChem CID2805893
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC NameN-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1CC1(Cl)Cl)c1ccccc1
InChIInChI=1S/C11H13Cl2NO2S/c12-11(13)8-9(11)6-7-14-17(15,16)10-4-2-1-3-5-10/h1-5,9,14H,6-8H2
InChIKeyYFJQTQZPCQKITB-UHFFFAOYSA-N
XLogP2.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide (CID 2805893) is N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide is O=S(=O)(NCCC1CC1(Cl)Cl)c1ccccc1.
What is the InChIKey of N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide?
The InChIKey is YFJQTQZPCQKITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c12-11(13)8-9(11)6-7-14-17(15,16)10-4-2-1-3-5-10/h1-5,9,14H,6-8H2.
What are the key properties of N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide?
N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide has a molecular weight of 294.20 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dichlorocyclopropyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2805893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).