N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide

C12H16FNO2S — CID 103697710

IUPACN-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C12H16FNO2S/c1-12(2,9-7-8-9)14-17(15,16)11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyWKPJGPQQECUJPW-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.29
Rot. Bonds4

About N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide

N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide (PubChem CID 103697710) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
PubChem CID103697710
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC NameN-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1F)C1CC1
InChIInChI=1S/C12H16FNO2S/c1-12(2,9-7-8-9)14-17(15,16)11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyWKPJGPQQECUJPW-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697721
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 21078666
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 114008662
N-(2,2-dimethylcyclopentyl)-2-fluorobenzenesulfonamide
CID 79833951
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
N-(3-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 115638756
N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 105060281
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
3-bromo-N-(2-cyclopropylpropan-2-yl)benzenesulfonamide
CID 103697730
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
CID 8778267

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide (CID 103697710) is N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide is CC(C)(NS(=O)(=O)c1ccccc1F)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide?
The InChIKey is WKPJGPQQECUJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-12(2,9-7-8-9)14-17(15,16)11-6-4-3-5-10(11)13/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide?
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide has a molecular weight of 257.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103697710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).