N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide

C11H13FN2O2S — CID 61127713

IUPACN-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C11H13FN2O2S/c1-8-4-5-9(12)6-10(8)17(15,16)14-11(2,3)7-13/h4-6,14H,1-3H3
InChIKeyQZIUBDWKPYUADD-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.71
Rot. Bonds3

About N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide

N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 61127713) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID61127713
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC NameN-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC(C)(C)C#N
InChIInChI=1S/C11H13FN2O2S/c1-8-4-5-9(12)6-10(8)17(15,16)14-11(2,3)7-13/h4-6,14H,1-3H3
InChIKeyQZIUBDWKPYUADD-UHFFFAOYSA-N
XLogP1.71
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropan-2-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 61127715
N-(3-cyanopentan-3-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61122121
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
N-(1-amino-2-methylpropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 61124375
N-[3-(bromomethyl)pentan-3-yl]-5-fluoro-2-methylbenzenesulfonamide
CID 114294064
2-ethyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]butanoic acid
CID 79807028
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(2-cyanopropan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 61126492
5-fluoro-2-methyl-N-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 82714803
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
N-(2-cyanopropan-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103300602
5-fluoro-2-methylbenzenesulfonyl bromide
CID 130493596

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide (CID 61127713) is N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC(C)(C)C#N.
What is the InChIKey of N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is QZIUBDWKPYUADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-8-4-5-9(12)6-10(8)17(15,16)14-11(2,3)7-13/h4-6,14H,1-3H3.
What are the key properties of N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide?
N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 256.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 61127713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).