N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide

C12H18ClNO2S2 — CID 65031136

IUPACN-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2(CCl)CCCC2)s1
InChIInChI=1S/C12H18ClNO2S2/c1-2-10-5-6-11(17-10)18(15,16)14-12(9-13)7-3-4-8-12/h5-6,14H,2-4,7-9H2,1H3
InChIKeyRVEGDMPZIPFKDK-UHFFFAOYSA-N
MW307.87 g/mol
LogP3.14
Rot. Bonds5

About N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide

N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 65031136) has the molecular formula C12H18ClNO2S2 and a molecular weight of 307.87 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
PubChem CID65031136
Molecular FormulaC12H18ClNO2S2
Molecular Weight307.87 g/mol
Exact Mass307.05
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2(CCl)CCCC2)s1
InChIInChI=1S/C12H18ClNO2S2/c1-2-10-5-6-11(17-10)18(15,16)14-12(9-13)7-3-4-8-12/h5-6,14H,2-4,7-9H2,1H3
InChIKeyRVEGDMPZIPFKDK-UHFFFAOYSA-N
XLogP3.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 53.14
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-propan-2-ylthiophene-2-sulfonamide
CID 61059652
1-[(5-ethylthiophen-2-yl)sulfonylamino]-4-methylcyclohexane-1-carboxylic acid
CID 61454521
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-[1-(hydroxymethyl)cyclopentyl]-5-methylthiophene-2-sulfonamide
CID 55082164
N-[(E)-4-chlorobut-2-enyl]-5-ethylthiophene-2-sulfonamide
CID 81429511
N-[1-(chloromethyl)cyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104710572
N-[2-[5-[[1-(aminomethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119980807
5-bromo-N-[1-(bromomethyl)cyclopentyl]thiophene-2-sulfonamide
CID 114297084
5-ethyl-N-(4-iodophenyl)thiophene-2-sulfonamide
CID 47309223
N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-(cyanomethyl)-5-ethylthiophene-2-sulfonamide
CID 61454174
N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 66007182

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide (CID 65031136) is N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NC2(CCl)CCCC2)s1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is RVEGDMPZIPFKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S2/c1-2-10-5-6-11(17-10)18(15,16)14-12(9-13)7-3-4-8-12/h5-6,14H,2-4,7-9H2,1H3.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide?
N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 307.87 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 65031136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).