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

C11H14FNO5S — CID 81435612

IUPAC2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid
SMILESCc1cc(S(=O)(=O)N(C)CCO)cc(C(=O)O)c1F
InChIInChI=1S/C11H14FNO5S/c1-7-5-8(6-9(10(7)12)11(15)16)19(17,18)13(2)3-4-14/h5-6,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyXKSZXMJFKUTFJP-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.45
Rot. Bonds5

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

2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid (PubChem CID 81435612) has the molecular formula C11H14FNO5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid
PubChem CID81435612
Molecular FormulaC11H14FNO5S
Molecular Weight291.30 g/mol
Exact Mass291.06
IUPAC Name2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid
SMILESCc1cc(S(=O)(=O)N(C)CCO)cc(C(=O)O)c1F
InChIInChI=1S/C11H14FNO5S/c1-7-5-8(6-9(10(7)12)11(15)16)19(17,18)13(2)3-4-14/h5-6,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyXKSZXMJFKUTFJP-UHFFFAOYSA-N
XLogP0.45
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methyl-5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]benzoic acid
CID 81426385
2-fluoro-5-[2-hydroxypropyl(methyl)sulfamoyl]-3-methylbenzoic acid
CID 81435613
5-[cyclopropyl(methyl)sulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 81434882
5-[2-(dimethylamino)ethylsulfonyl]-2-fluoro-3-methylbenzoic acid
CID 81434807
5-chloro-2-fluoro-3-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
CID 54876142
5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962355
2-fluoro-3-methyl-5-propylsulfonylbenzoic acid
CID 81434888
2-fluoro-3-methyl-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid
CID 81426362
2-fluoro-5-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-3-methylbenzoic acid
CID 115358276
2-fluoro-5-(5-hydroxypentylsulfamoyl)-3-methylbenzoic acid
CID 107316643
N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
CID 81427216
5-[1-(dimethylamino)propan-2-ylsulfamoyl]-2-fluoro-3-methylbenzoic acid
CID 82924057

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid?
The IUPAC name of 2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid (CID 81435612) is 2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid.
What is the SMILES notation for 2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid?
The canonical SMILES for 2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid is Cc1cc(S(=O)(=O)N(C)CCO)cc(C(=O)O)c1F.
What is the InChIKey of 2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid?
The InChIKey is XKSZXMJFKUTFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5S/c1-7-5-8(6-9(10(7)12)11(15)16)19(17,18)13(2)3-4-14/h5-6,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid?
2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid has a molecular weight of 291.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-hydroxyethyl(methyl)sulfamoyl]-3-methylbenzoic acid is sourced from PubChem (CID 81435612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).