2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide

C8H10Cl3NO2S2 — CID 65036898

IUPAC2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
SMILESCC(CCl)CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H10Cl3NO2S2/c1-5(3-9)4-12-16(13,14)6-2-7(10)15-8(6)11/h2,5,12H,3-4H2,1H3
InChIKeyHNKMMZNCTGVOKW-UHFFFAOYSA-N
MW322.67 g/mol
LogP3.21
Rot. Bonds5

About 2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide

2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide (PubChem CID 65036898) has the molecular formula C8H10Cl3NO2S2 and a molecular weight of 322.67 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
PubChem CID65036898
Molecular FormulaC8H10Cl3NO2S2
Molecular Weight322.67 g/mol
Exact Mass320.92
IUPAC Name2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide
SMILESCC(CCl)CNS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H10Cl3NO2S2/c1-5(3-9)4-12-16(13,14)6-2-7(10)15-8(6)11/h2,5,12H,3-4H2,1H3
InChIKeyHNKMMZNCTGVOKW-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.67
LogP ≤ 53.21
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

2,5-dichloro-N-(2-phenylpropyl)thiophene-3-sulfonamide
CID 55365000
N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43606292
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
N-(3-bromobutyl)-2,5-dichlorothiophene-3-sulfonamide
CID 114297747
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)thiophene-3-sulfonamide
CID 114149844
5-bromo-2-chloro-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120824863
2,5-dichloro-N-(1-chloropropan-2-yl)-N-methylthiophene-3-sulfonamide
CID 104556518
2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 113318751
2,5-dibromo-N-(3-chloro-2-methylpropyl)-4-methylbenzenesulfonamide
CID 81327843
2,5-dichloro-N-[[4-(chloromethyl)phenyl]methyl]thiophene-3-sulfonamide
CID 107234016
2,5-dichloro-N-(3-oxopentan-2-yl)thiophene-3-sulfonamide
CID 64993790
2,5-dichloro-N-(3-iodopropyl)thiophene-3-sulfonamide
CID 114504676

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide (CID 65036898) is 2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide is CC(CCl)CNS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide?
The InChIKey is HNKMMZNCTGVOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl3NO2S2/c1-5(3-9)4-12-16(13,14)6-2-7(10)15-8(6)11/h2,5,12H,3-4H2,1H3.
What are the key properties of 2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide has a molecular weight of 322.67 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-chloro-2-methylpropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 65036898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).