3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide

C15H24FNO3S — CID 83145540

IUPAC3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCc1c(F)cc(CO)cc1S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C15H24FNO3S/c1-10(15(3,4)5)8-17-21(19,20)14-7-12(9-18)6-13(16)11(14)2/h6-7,10,17-18H,8-9H2,1-5H3
InChIKeyPXUOYKLBUWIYQG-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.59
Rot. Bonds5

About 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide

3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide (PubChem CID 83145540) has the molecular formula C15H24FNO3S and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
PubChem CID83145540
Molecular FormulaC15H24FNO3S
Molecular Weight317.43 g/mol
Exact Mass317.15
IUPAC Name3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
SMILESCc1c(F)cc(CO)cc1S(=O)(=O)NCC(C)C(C)(C)C
InChIInChI=1S/C15H24FNO3S/c1-10(15(3,4)5)8-17-21(19,20)14-7-12(9-18)6-13(16)11(14)2/h6-7,10,17-18H,8-9H2,1-5H3
InChIKeyPXUOYKLBUWIYQG-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide 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-bromo-4-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83146874
3-fluoro-4-methyl-5-(2-methylpropylsulfamoyl)benzoic acid
CID 43510378
4-fluoro-3-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147125
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
5-(aminomethyl)-3-fluoro-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064732
3-bromo-5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102701305
3-fluoro-5-[(4-hydroxy-2-methylbutyl)sulfamoyl]-4-methylbenzoic acid
CID 66092701
3-fluoro-5-(hydroxymethyl)-2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022630
3-amino-5-chloro-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 114380077
3-fluoro-4-methyl-5-(2-methylbutylsulfamoyl)benzoic acid
CID 62691999
3-(2,3-dihydroxypropylsulfamoyl)-5-fluoro-4-methylbenzoic acid
CID 66168902
3-[2-(dimethylamino)propylsulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 61043671

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide (CID 83145540) is 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide is Cc1c(F)cc(CO)cc1S(=O)(=O)NCC(C)C(C)(C)C.
What is the InChIKey of 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
The InChIKey is PXUOYKLBUWIYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3S/c1-10(15(3,4)5)8-17-21(19,20)14-7-12(9-18)6-13(16)11(14)2/h6-7,10,17-18H,8-9H2,1-5H3.
What are the key properties of 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide?
3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide is sourced from PubChem (CID 83145540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).