N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide

C11H16ClNO2S2 — CID 66007182

IUPACN-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CC(Cl)C2)s1
InChIInChI=1S/C11H16ClNO2S2/c1-2-10-3-4-11(16-10)17(14,15)13-7-8-5-9(12)6-8/h3-4,8-9,13H,2,5-7H2,1H3
InChIKeyQKIQPNMJVIAVCJ-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.61
Rot. Bonds5

About N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide

N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide (PubChem CID 66007182) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
PubChem CID66007182
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CC(Cl)C2)s1
InChIInChI=1S/C11H16ClNO2S2/c1-2-10-3-4-11(16-10)17(14,15)13-7-8-5-9(12)6-8/h3-4,8-9,13H,2,5-7H2,1H3
InChIKeyQKIQPNMJVIAVCJ-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 106126554
N-[(3-bromocyclohexyl)methyl]-5-ethylthiophene-2-sulfonamide
CID 106135842
N-[(1,1-dioxothiolan-3-yl)methyl]-5-ethylthiophene-2-sulfonamide
CID 47304567
5-ethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]thiophene-2-sulfonamide
CID 16887547
N-[(3-chlorocyclopentyl)methyl]-5-methylthiophene-2-sulfonamide
CID 106135175
N-cyclopropyl-5-ethylthiophene-2-sulfonamide
CID 61061009
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415967
N-[[2-(bromomethyl)cyclopentyl]methyl]-5-ethylthiophene-2-sulfonamide
CID 113271283
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
5-ethyl-N-(2-ethylbutyl)thiophene-2-sulfonamide
CID 115613311
N-(2-chloro-2-cyclopropylethyl)-5-ethylthiophene-2-sulfonamide
CID 65031848
N-(cyclopentylmethyl)-5-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 106027253

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide (CID 66007182) is N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCC2CC(Cl)C2)s1.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide?
The InChIKey is QKIQPNMJVIAVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c1-2-10-3-4-11(16-10)17(14,15)13-7-8-5-9(12)6-8/h3-4,8-9,13H,2,5-7H2,1H3.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide?
N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide has a molecular weight of 293.84 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-5-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 66007182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).