N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide

C13H18FNO3S — CID 52907137

IUPACN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESC[C@](O)(CNS(=O)(=O)Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H18FNO3S/c1-13(16,11-4-5-11)9-15-19(17,18)8-10-2-6-12(14)7-3-10/h2-3,6-7,11,15-16H,4-5,8-9H2,1H3/t13-/m0/s1
InChIKeyYMKTYCKLZGJYMY-ZDUSSCGKSA-N
MW287.36 g/mol
LogP1.41
Rot. Bonds6

About N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 52907137) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID52907137
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC NameN-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESC[C@](O)(CNS(=O)(=O)Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H18FNO3S/c1-13(16,11-4-5-11)9-15-19(17,18)8-10-2-6-12(14)7-3-10/h2-3,6-7,11,15-16H,4-5,8-9H2,1H3/t13-/m0/s1
InChIKeyYMKTYCKLZGJYMY-ZDUSSCGKSA-N
XLogP1.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide
CID 90499382
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90535501
N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide
CID 90499360
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 119988176
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 90497105
1-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984165
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
CID 110421113
4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
CID 94909084
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide (CID 52907137) is N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide is C[C@](O)(CNS(=O)(=O)Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is YMKTYCKLZGJYMY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-13(16,11-4-5-11)9-15-19(17,18)8-10-2-6-12(14)7-3-10/h2-3,6-7,11,15-16H,4-5,8-9H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 52907137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).