2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

C13H13F2NO2S2 — CID 51183787

IUPAC2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO2S2/c1-9-6-7-19-12(9)8-16(2)20(17,18)13-10(14)4-3-5-11(13)15/h3-7H,8H2,1-2H3
InChIKeyKXXCCWPXWLCYNJ-UHFFFAOYSA-N
MW317.38 g/mol
LogP3.16
Rot. Bonds4

About 2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide

2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 51183787) has the molecular formula C13H13F2NO2S2 and a molecular weight of 317.38 g/mol. Its IUPAC name is 2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID51183787
Molecular FormulaC13H13F2NO2S2
Molecular Weight317.38 g/mol
Exact Mass317.04
IUPAC Name2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCc1ccsc1CN(C)S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C13H13F2NO2S2/c1-9-6-7-19-12(9)8-16(2)20(17,18)13-10(14)4-3-5-11(13)15/h3-7H,8H2,1-2H3
InChIKeyKXXCCWPXWLCYNJ-UHFFFAOYSA-N
XLogP3.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62058434
4-bromo-2,6-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 60652341
N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 60700177
4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 102748355
N-methyl-N-[(3-methylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 61383956
2-chloro-4-fluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 134002504
2,5-dibromo-N,4-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 81435953
2-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidine-5-sulfonamide
CID 61042674
2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 61115034
N-[(5-bromothiophen-2-yl)methyl]-2,6-difluoro-N-methylbenzenesulfonamide
CID 9302486
5-amino-4-bromo-N,2-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 114625318
N-[4-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]phenyl]acetamide
CID 51183764

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide (CID 51183787) is 2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is Cc1ccsc1CN(C)S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is KXXCCWPXWLCYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2S2/c1-9-6-7-19-12(9)8-16(2)20(17,18)13-10(14)4-3-5-11(13)15/h3-7H,8H2,1-2H3.
What are the key properties of 2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide?
2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 317.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 51183787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).