2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide

C14H22ClNO2S2 — CID 102750332

IUPAC2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1c(C)csc1CCl
InChIInChI=1S/C14H22ClNO2S2/c1-3-16(12-7-5-4-6-8-12)20(17,18)14-11(2)10-19-13(14)9-15/h10,12H,3-9H2,1-2H3
InChIKeyMDYCTGWHWWLEHR-UHFFFAOYSA-N
MW335.92 g/mol
LogP4.14
Rot. Bonds5

About 2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide

2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide (PubChem CID 102750332) has the molecular formula C14H22ClNO2S2 and a molecular weight of 335.92 g/mol. Its IUPAC name is 2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide
PubChem CID102750332
Molecular FormulaC14H22ClNO2S2
Molecular Weight335.92 g/mol
Exact Mass335.08
IUPAC Name2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide
SMILESCCN(C1CCCCC1)S(=O)(=O)c1c(C)csc1CCl
InChIInChI=1S/C14H22ClNO2S2/c1-3-16(12-7-5-4-6-8-12)20(17,18)14-11(2)10-19-13(14)9-15/h10,12H,3-9H2,1-2H3
InChIKeyMDYCTGWHWWLEHR-UHFFFAOYSA-N
XLogP4.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(Chloromethyl)-4-methylthiophen-3-yl]sulfonyl-3-(trifluoromethyl)piperidine
CID 102750297
2-(chloromethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102750444
2-(chloromethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102750479
2-(chloromethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102750480
2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102750481
2-(chloromethyl)-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 102750484
2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 102750712
1-[2-(Chloromethyl)-4-methylthiophen-3-yl]sulfonyl-4-(trifluoromethyl)piperidine
CID 102750714
2-(chloromethyl)-N-(2,2-difluoroethyl)-N,4-dimethylthiophene-3-sulfonamide
CID 102750782
1-[5-(Chloromethyl)-4-methylthiophen-2-yl]sulfonyl-2-methylpyrrolidine
CID 65744413
5-(chloromethyl)-N-cyclohexyl-N-methylthiophene-3-sulfonamide
CID 65744478
1-[5-(Chloromethyl)-4-methylthiophen-2-yl]sulfonylpiperidine
CID 65744510

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide (CID 102750332) is 2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide is CCN(C1CCCCC1)S(=O)(=O)c1c(C)csc1CCl.
What is the InChIKey of 2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide?
The InChIKey is MDYCTGWHWWLEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2S2/c1-3-16(12-7-5-4-6-8-12)20(17,18)14-11(2)10-19-13(14)9-15/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide?
2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide has a molecular weight of 335.92 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102750332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).