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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Related Compounds

2-methoxythiophene-3-sulfonyl chloride
CID 18769960
2-methoxy-N-(2-oxo-1,3-dihydroindol-7-yl)thiophene-3-sulfonamide
CID 166369492
4,4-difluoro-3-[(2-methoxythiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 167954729
methyl 3-(2-aminoethylsulfamoyl)thiophene-2-carboxylate
CID 43603472
[3-[[2-methoxy-4-(pentylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
CID 71092870
2-[(cyclopropylamino)methyl]-N-(5-methoxypentyl)thiophene-3-sulfonamide
CID 106092757
methyl 3-(3-aminopropylsulfamoyl)thiophene-2-carboxylate
CID 43605768
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 106032375
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-[(4-ethoxy-4-oxobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709040
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106019845
[3-[[2-methoxy-4-(propan-2-ylamino)phenyl]sulfamoyl]thiophen-2-yl] methyl carbonate
CID 71093006

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).