5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid

C12H14FNO4S — CID 81434882

IUPAC5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
SMILESCc1cc(S(=O)(=O)N(C)C2CC2)cc(C(=O)O)c1F
InChIInChI=1S/C12H14FNO4S/c1-7-5-9(6-10(11(7)13)12(15)16)19(17,18)14(2)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,15,16)
InChIKeyRMUJFRYDUQHFPE-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.62
Rot. Bonds4

About 5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid

5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid (PubChem CID 81434882) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid.

Molecular Properties

Compound Name5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
PubChem CID81434882
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
SMILESCc1cc(S(=O)(=O)N(C)C2CC2)cc(C(=O)O)c1F
InChIInChI=1S/C12H14FNO4S/c1-7-5-9(6-10(11(7)13)12(15)16)19(17,18)14(2)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,15,16)
InChIKeyRMUJFRYDUQHFPE-UHFFFAOYSA-N
XLogP1.62
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-methyl-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid
CID 81426362
2-fluoro-3-methyl-5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]benzoic acid
CID 81426385
2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid
CID 81435612
2-fluoro-5-[2-hydroxypropyl(methyl)sulfamoyl]-3-methylbenzoic acid
CID 81435613
N-cyclopropyl-4-fluoro-N,3-dimethyl-5-nitrobenzenesulfonamide
CID 113306304
2-fluoro-5-[methyl(piperidin-4-yl)sulfamoyl]benzoic acid
CID 61403448
5-[2-(dimethylamino)ethylsulfonyl]-2-fluoro-3-methylbenzoic acid
CID 81434807
2-fluoro-3-methyl-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 81434428
2-fluoro-5-(3-hydroxy-3-methylazetidin-1-yl)sulfonyl-3-methylbenzoic acid
CID 107215642
2-fluoro-3-methyl-5-propylsulfonylbenzoic acid
CID 81434888
5-bromo-3-[cyclopentyl(methyl)sulfamoyl]-2-fluorobenzoic acid
CID 43267075
2-fluoro-5-[(3-hydroxycyclobutyl)sulfamoyl]-3-methylbenzoic acid
CID 81434533

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid?
The IUPAC name of 5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid (CID 81434882) is 5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid.
What is the SMILES notation for 5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid?
The canonical SMILES for 5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid is Cc1cc(S(=O)(=O)N(C)C2CC2)cc(C(=O)O)c1F.
What is the InChIKey of 5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid?
The InChIKey is RMUJFRYDUQHFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c1-7-5-9(6-10(11(7)13)12(15)16)19(17,18)14(2)8-3-4-8/h5-6,8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid?
5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid has a molecular weight of 287.31 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid is sourced from PubChem (CID 81434882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).