N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide

C11H17FN2O2S — CID 43731832

IUPACN-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
SMILESCC(C)CNc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C11H17FN2O2S/c1-8(2)7-13-9-4-5-10(12)11(6-9)14-17(3,15)16/h4-6,8,13-14H,7H2,1-3H3
InChIKeyYFUPUQSHAWSEBC-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.27
Rot. Bonds5

About N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide

N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide (PubChem CID 43731832) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
PubChem CID43731832
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
SMILESCC(C)CNc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C11H17FN2O2S/c1-8(2)7-13-9-4-5-10(12)11(6-9)14-17(3,15)16/h4-6,8,13-14H,7H2,1-3H3
InChIKeyYFUPUQSHAWSEBC-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[4-chloro-3-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43708221
(2S)-2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methylpentanamide;hydrochloride
CID 119702982
N-[2-fluoro-5-[(5-methyloxolan-2-yl)methylamino]phenyl]methanesulfonamide
CID 82833714
N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204406
4-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-2-methylbutanamide
CID 80542664
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852910
N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66387952
N-[5-[(3-bromothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 115380061
N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761228
N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66412524
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide (CID 43731832) is N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide is CC(C)CNc1ccc(F)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide?
The InChIKey is YFUPUQSHAWSEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-8(2)7-13-9-4-5-10(12)11(6-9)14-17(3,15)16/h4-6,8,13-14H,7H2,1-3H3.
What are the key properties of N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide?
N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43731832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).