N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide

C12H17FN2O3S — CID 82727389

IUPACN-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
SMILESCC1OCCC1Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H17FN2O3S/c1-8-11(5-6-18-8)14-9-3-4-10(13)12(7-9)15-19(2,16)17/h3-4,7-8,11,14-15H,5-6H2,1-2H3
InChIKeyKSMXMFPSMONRIV-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.79
Rot. Bonds4

About N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide

N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide (PubChem CID 82727389) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
PubChem CID82727389
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
SMILESCC1OCCC1Nc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C12H17FN2O3S/c1-8-11(5-6-18-8)14-9-3-4-10(13)12(7-9)15-19(2,16)17/h3-4,7-8,11,14-15H,5-6H2,1-2H3
InChIKeyKSMXMFPSMONRIV-UHFFFAOYSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
N-[2-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
CID 82727026
N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide
CID 105364190
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
(2R,3S)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921201
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
(2S,3R)-N-(3-bromo-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358653
N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide
CID 79459138
N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide
CID 82833714
(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 97358489
2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 82725123

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide (CID 82727389) is N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide is CC1OCCC1Nc1ccc(F)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide?
The InChIKey is KSMXMFPSMONRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-8-11(5-6-18-8)14-9-3-4-10(13)12(7-9)15-19(2,16)17/h3-4,7-8,11,14-15H,5-6H2,1-2H3.
What are the key properties of N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide?
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 82727389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).