N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide

C12H11F2NO3S2 — CID 22207057

IUPACN-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide
SMILESCc1cc(OC(F)F)ccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H11F2NO3S2/c1-8-7-9(18-12(13)14)4-5-10(8)15-20(16,17)11-3-2-6-19-11/h2-7,12,15H,1H3
InChIKeyFPDMELFFIAYXTI-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.46
Rot. Bonds5

About N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide

N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide (PubChem CID 22207057) has the molecular formula C12H11F2NO3S2 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide
PubChem CID22207057
Molecular FormulaC12H11F2NO3S2
Molecular Weight319.35 g/mol
Exact Mass319.01
IUPAC NameN-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide
SMILESCc1cc(OC(F)F)ccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H11F2NO3S2/c1-8-7-9(18-12(13)14)4-5-10(8)15-20(16,17)11-3-2-6-19-11/h2-7,12,15H,1H3
InChIKeyFPDMELFFIAYXTI-UHFFFAOYSA-N
XLogP3.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide (CID 22207057) is N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide is Cc1cc(OC(F)F)ccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide?
The InChIKey is FPDMELFFIAYXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3S2/c1-8-7-9(18-12(13)14)4-5-10(8)15-20(16,17)11-3-2-6-19-11/h2-7,12,15H,1H3.
What are the key properties of N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide?
N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide has a molecular weight of 319.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 22207057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).