2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide

C10H14FNO3S — CID 170112817

IUPAC2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)(C)O)cc1F
InChIInChI=1S/C10H14FNO3S/c1-10(2,13)7-4-5-9(8(11)6-7)16(14,15)12-3/h4-6,12-13H,1-3H3
InChIKeyVVYXPYLMDRXIDQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.96
Rot. Bonds3

About 2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide

2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide (PubChem CID 170112817) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
PubChem CID170112817
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(C(C)(C)O)cc1F
InChIInChI=1S/C10H14FNO3S/c1-10(2,13)7-4-5-9(8(11)6-7)16(14,15)12-3/h4-6,12-13H,1-3H3
InChIKeyVVYXPYLMDRXIDQ-UHFFFAOYSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
2-(3-fluoro-4-sulfanylphenyl)propan-2-ol
CID 142522705
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
2-[[2-fluoro-4-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 122068118
2-[4-(difluoromethyl)-3-fluorophenyl]propan-2-ol
CID 84672129
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474
4-(2-aminopyrimidin-5-yl)-2-fluoro-N-methylbenzenesulfonamide
CID 67225169
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
3-(2,2-dimethylpropanoyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 58961149
3,4-difluoro-5-(methylsulfamoyl)benzoic acid
CID 105111222
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
4-(2-aminopropan-2-yl)-2-fluorobenzenesulfonamide
CID 146570721

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide (CID 170112817) is 2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(C(C)(C)O)cc1F.
What is the InChIKey of 2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is VVYXPYLMDRXIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-10(2,13)7-4-5-9(8(11)6-7)16(14,15)12-3/h4-6,12-13H,1-3H3.
What are the key properties of 2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide?
2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-hydroxypropan-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 170112817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).