N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide

C12H11F2NO2S2 — CID 932760

IUPACN-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccccc1N(C(F)F)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11F2NO2S2/c1-9-5-2-3-6-10(9)15(12(13)14)19(16,17)11-7-4-8-18-11/h2-8,12H,1H3
InChIKeySNZRYUSAXWXDGT-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.47
Rot. Bonds4

About N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide

N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide (PubChem CID 932760) has the molecular formula C12H11F2NO2S2 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide
PubChem CID932760
Molecular FormulaC12H11F2NO2S2
Molecular Weight303.36 g/mol
Exact Mass303.02
IUPAC NameN-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide
SMILESCc1ccccc1N(C(F)F)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H11F2NO2S2/c1-9-5-2-3-6-10(9)15(12(13)14)19(16,17)11-7-4-8-18-11/h2-8,12H,1H3
InChIKeySNZRYUSAXWXDGT-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide (CID 932760) is N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide is Cc1ccccc1N(C(F)F)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide?
The InChIKey is SNZRYUSAXWXDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO2S2/c1-9-5-2-3-6-10(9)15(12(13)14)19(16,17)11-7-4-8-18-11/h2-8,12H,1H3.
What are the key properties of N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide?
N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide has a molecular weight of 303.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-(2-methylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 932760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).