N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide

C12H16FNO3S — CID 90499351

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H16FNO3S/c1-12(15,9-2-3-9)8-14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,14-15H,2-3,8H2,1H3
InChIKeyMWVKEANLQRFMHF-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.26
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide

N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide (PubChem CID 90499351) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
PubChem CID90499351
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C12H16FNO3S/c1-12(15,9-2-3-9)8-14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,14-15H,2-3,8H2,1H3
InChIKeyMWVKEANLQRFMHF-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
CID 94909084
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90499413
N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide
CID 90499360
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
CID 52907137
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501111
N-(2-cyclopropyl-2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 90499355
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
4-bromo-N-[2-(4-fluorophenyl)-2-methylpropyl]benzenesulfonamide
CID 113090353
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide (CID 90499351) is N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide is CC(O)(CNS(=O)(=O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide?
The InChIKey is MWVKEANLQRFMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-12(15,9-2-3-9)8-14-18(16,17)11-6-4-10(13)5-7-11/h4-7,9,14-15H,2-3,8H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide?
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 90499351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).