5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid

C13H11F2NO4S2 — CID 56798963

IUPAC5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)sc1C(=O)O
InChIInChI=1S/C13H11F2NO4S2/c1-7-5-11(21-12(7)13(17)18)22(19,20)16(2)8-3-4-9(14)10(15)6-8/h3-6H,1-2H3,(H,17,18)
InChIKeyKEHLFRNXDLZASE-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.86
Rot. Bonds4

About 5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 56798963) has the molecular formula C13H11F2NO4S2 and a molecular weight of 347.36 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID56798963
Molecular FormulaC13H11F2NO4S2
Molecular Weight347.36 g/mol
Exact Mass347.01
IUPAC Name5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)sc1C(=O)O
InChIInChI=1S/C13H11F2NO4S2/c1-7-5-11(21-12(7)13(17)18)22(19,20)16(2)8-3-4-9(14)10(15)6-8/h3-6H,1-2H3,(H,17,18)
InChIKeyKEHLFRNXDLZASE-UHFFFAOYSA-N
XLogP2.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[hydroxy(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 127020813
N-(3,4-difluorophenyl)-N,4-dimethylbenzenesulfonamide
CID 47387538
3-methyl-5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115485
3-methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950394
5-[(5-chlorothiophen-2-yl)methyl-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60948492
5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43343916
5-[furan-2-ylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43526876
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
5-[(2,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311182
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
5-chloro-N-(4-hydroxyphenyl)-N,4-dimethylthiophene-2-sulfonamide
CID 103100118

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 56798963) is 5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)N(C)c2ccc(F)c(F)c2)sc1C(=O)O.
What is the InChIKey of 5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is KEHLFRNXDLZASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO4S2/c1-7-5-11(21-12(7)13(17)18)22(19,20)16(2)8-3-4-9(14)10(15)6-8/h3-6H,1-2H3,(H,17,18).
What are the key properties of 5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 347.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)-methylsulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 56798963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).