5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid

C10H11F2NO5S — CID 115405527

IUPAC5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H11F2NO5S/c1-5-2-7(14)6(10(15)16)3-8(5)19(17,18)13-4-9(11)12/h2-3,9,13-14H,4H2,1H3,(H,15,16)
InChIKeyYHPCOIFZXLVPRT-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.94
Rot. Bonds5

About 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid

5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid (PubChem CID 115405527) has the molecular formula C10H11F2NO5S and a molecular weight of 295.26 g/mol. Its IUPAC name is 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid.

Molecular Properties

Compound Name5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
PubChem CID115405527
Molecular FormulaC10H11F2NO5S
Molecular Weight295.26 g/mol
Exact Mass295.03
IUPAC Name5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid
SMILESCc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C10H11F2NO5S/c1-5-2-7(14)6(10(15)16)3-8(5)19(17,18)13-4-9(11)12/h2-3,9,13-14H,4H2,1H3,(H,15,16)
InChIKeyYHPCOIFZXLVPRT-UHFFFAOYSA-N
XLogP0.94
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-5-(2-mercapto-ethylsulfamoyl)-benzoic acid
CID 447400
2-Hydroxy-5-methylsulfamoyl-benzoic acid
CID 14490061
5-(Dimethylsulfamoyl)-2-hydroxybenzoic acid
CID 14490070
5-(Diethylsulfamoyl)-2-hydroxybenzoic acid
CID 438860
5-[(4-Fluorophenyl)methylsulfamoyl]-2-hydroxybenzoic acid
CID 4848533
5-Methylsulfamoyl-2-trifluoromethoxy-benzoic acid
CID 57753321
5-(Ethylsulfamoyl)-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 69290249
5-(Ethylsulfamoyl)-2-(3,3,3-trifluoropropoxy)benzoic acid
CID 69291907
Ethyl 2-hydroxy-3-(methylsulfamoyl)-4-(trifluoromethyl)benzoate
CID 146268638
4-Fluoro-2-hydroxy-5-sulfamoylbenzoic acid
CID 155168010
5-(Dimethylsulfamoyl)-4-fluoro-2-hydroxybenzoic acid
CID 155168011
5-(Methylsulfamoyl)-2-[3-(trifluoromethyl)phenoxy]benzoic acid
CID 155342907

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
The IUPAC name of 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid (CID 115405527) is 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid.
What is the SMILES notation for 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
The canonical SMILES for 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid is Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)NCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
The InChIKey is YHPCOIFZXLVPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO5S/c1-5-2-7(14)6(10(15)16)3-8(5)19(17,18)13-4-9(11)12/h2-3,9,13-14H,4H2,1H3,(H,15,16).
What are the key properties of 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid?
5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid has a molecular weight of 295.26 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethylsulfamoyl)-2-hydroxy-4-methylbenzoic acid is sourced from PubChem (CID 115405527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).