2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide

C10H13ClF3NO2S2 — CID 102750712

IUPAC2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
SMILESCc1csc(CCl)c1S(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H13ClF3NO2S2/c1-7-6-18-8(5-11)9(7)19(16,17)15(2)4-3-10(12,13)14/h6H,3-5H2,1-2H3
InChIKeyXIVBAYHKRNFXRD-UHFFFAOYSA-N
MW335.80 g/mol
LogP3.37
Rot. Bonds5

About 2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide

2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide (PubChem CID 102750712) has the molecular formula C10H13ClF3NO2S2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
PubChem CID102750712
Molecular FormulaC10H13ClF3NO2S2
Molecular Weight335.80 g/mol
Exact Mass335.00
IUPAC Name2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
SMILESCc1csc(CCl)c1S(=O)(=O)N(C)CCC(F)(F)F
InChIInChI=1S/C10H13ClF3NO2S2/c1-7-6-18-8(5-11)9(7)19(16,17)15(2)4-3-10(12,13)14/h6H,3-5H2,1-2H3
InChIKeyXIVBAYHKRNFXRD-UHFFFAOYSA-N
XLogP3.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide (CID 102750712) is 2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide is Cc1csc(CCl)c1S(=O)(=O)N(C)CCC(F)(F)F.
What is the InChIKey of 2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide?
The InChIKey is XIVBAYHKRNFXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NO2S2/c1-7-6-18-8(5-11)9(7)19(16,17)15(2)4-3-10(12,13)14/h6H,3-5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide?
2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide has a molecular weight of 335.80 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102750712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).