N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide

C10H13Cl2NO3S2 — CID 166272639

IUPACN-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide
SMILESCOc1sccc1S(=O)(=O)NCCC1CC1(Cl)Cl
InChIInChI=1S/C10H13Cl2NO3S2/c1-16-9-8(3-5-17-9)18(14,15)13-4-2-7-6-10(7,11)12/h3,5,7,13H,2,4,6H2,1H3
InChIKeyRPJDDAMBQVWDGX-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide

N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide (PubChem CID 166272639) has the molecular formula C10H13Cl2NO3S2 and a molecular weight of 330.26 g/mol. Its IUPAC name is N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide
PubChem CID166272639
Molecular FormulaC10H13Cl2NO3S2
Molecular Weight330.26 g/mol
Exact Mass328.97
IUPAC NameN-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide
SMILESCOc1sccc1S(=O)(=O)NCCC1CC1(Cl)Cl
InChIInChI=1S/C10H13Cl2NO3S2/c1-16-9-8(3-5-17-9)18(14,15)13-4-2-7-6-10(7,11)12/h3,5,7,13H,2,4,6H2,1H3
InChIKeyRPJDDAMBQVWDGX-UHFFFAOYSA-N
XLogP2.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-2-methoxythiophene-3-sulfonamide?
The IUPAC name of N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide (CID 166272639) is N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide?
The canonical SMILES for N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide is COc1sccc1S(=O)(=O)NCCC1CC1(Cl)Cl.
What is the InChIKey of N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide?
The InChIKey is RPJDDAMBQVWDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO3S2/c1-16-9-8(3-5-17-9)18(14,15)13-4-2-7-6-10(7,11)12/h3,5,7,13H,2,4,6H2,1H3.
What are the key properties of N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide?
N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide has a molecular weight of 330.26 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dichlorocyclopropyl)ethyl]-2-methoxythiophene-3-sulfonamide is sourced from PubChem (CID 166272639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).