N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide

C17H18FNO3S — CID 71788798

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1ccccc1F
InChIInChI=1S/C17H18FNO3S/c18-15-8-4-5-9-16(15)23(21,22)19-12-17(20,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,19-20H,10-12H2
InChIKeyYGOITGBDJUQHBD-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.40
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide (PubChem CID 71788798) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
PubChem CID71788798
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1ccccc1F
InChIInChI=1S/C17H18FNO3S/c18-15-8-4-5-9-16(15)23(21,22)19-12-17(20,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,19-20H,10-12H2
InChIKeyYGOITGBDJUQHBD-UHFFFAOYSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 95379538
2,5-dichloro-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 90535544
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498025
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90535501
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)naphthalene-2-sulfonamide
CID 90535526
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 71788810
4-acetyl-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 71788808
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-3-methylbenzenesulfonamide
CID 71788797
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-3-methylbenzenesulfonamide
CID 95379479
N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103461134
N-[(2R)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 95379516
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-propoxybenzenesulfonamide
CID 90535535

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide (CID 71788798) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide is O=S(=O)(NCC(O)(c1ccccc1)C1CC1)c1ccccc1F.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide?
The InChIKey is YGOITGBDJUQHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-15-8-4-5-9-16(15)23(21,22)19-12-17(20,14-10-11-14)13-6-2-1-3-7-13/h1-9,14,19-20H,10-12H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide has a molecular weight of 335.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 71788798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).