N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide

C12H11F2NO3S2 — CID 19684078

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
SMILESCc1ccc(OC(F)F)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H11F2NO3S2/c1-8-4-5-10(18-12(13)14)9(7-8)15-20(16,17)11-3-2-6-19-11/h2-7,12,15H,1H3
InChIKeyNXUINDJTXXIOJC-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.46
Rot. Bonds5

About N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide

N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide (PubChem CID 19684078) has the molecular formula C12H11F2NO3S2 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
PubChem CID19684078
Molecular FormulaC12H11F2NO3S2
Molecular Weight319.35 g/mol
Exact Mass319.01
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
SMILESCc1ccc(OC(F)F)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H11F2NO3S2/c1-8-4-5-10(18-12(13)14)9(7-8)15-20(16,17)11-3-2-6-19-11/h2-7,12,15H,1H3
InChIKeyNXUINDJTXXIOJC-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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Related Compounds

N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19684084
2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 19684098
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
CID 19684057
N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 19684090
N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
CID 110777538
N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide
CID 19684072
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
[4-(difluoromethoxy)-3-methoxyphenyl]methyl 2-(thiophen-2-ylsulfonylamino)benzoate
CID 30137420
4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16771255
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-[2-(difluoromethoxy)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37311988

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide (CID 19684078) is N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide is Cc1ccc(OC(F)F)c(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide?
The InChIKey is NXUINDJTXXIOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3S2/c1-8-4-5-10(18-12(13)14)9(7-8)15-20(16,17)11-3-2-6-19-11/h2-7,12,15H,1H3.
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide?
N-[2-(difluoromethoxy)-5-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-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 19684078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).