N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide

C11H16ClNO2S2 — CID 65031848

IUPACN-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(Cl)C2CC2)s1
InChIInChI=1S/C11H16ClNO2S2/c1-2-9-5-6-11(16-9)17(14,15)13-7-10(12)8-3-4-8/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyFQBRTEFYGMYIRH-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.61
Rot. Bonds6

About N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide

N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide (PubChem CID 65031848) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
PubChem CID65031848
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC NameN-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC(Cl)C2CC2)s1
InChIInChI=1S/C11H16ClNO2S2/c1-2-9-5-6-11(16-9)17(14,15)13-7-10(12)8-3-4-8/h5-6,8,10,13H,2-4,7H2,1H3
InChIKeyFQBRTEFYGMYIRH-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
5-ethyl-N-(3-ethyl-2-hydroxypentyl)thiophene-2-sulfonamide
CID 103835206
5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887547
N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 66007182
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554
5-ethyl-N-(2-propan-2-yloxyethyl)thiophene-2-sulfonamide
CID 110602852
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
5-ethyl-N-propan-2-ylthiophene-2-sulfonamide
CID 61059652
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide (CID 65031848) is N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC(Cl)C2CC2)s1.
What is the InChIKey of N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide?
The InChIKey is FQBRTEFYGMYIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c1-2-9-5-6-11(16-9)17(14,15)13-7-10(12)8-3-4-8/h5-6,8,10,13H,2-4,7H2,1H3.
What are the key properties of N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide?
N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide has a molecular weight of 293.84 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 65031848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).