N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide

C14H18FN3O2S — CID 66412524

IUPACN-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
SMILESCCn1cccc1CNc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H18FN3O2S/c1-3-18-8-4-5-12(18)10-16-11-6-7-13(15)14(9-11)17-21(2,19)20/h4-9,16-17H,3,10H2,1-2H3
InChIKeyAYYXFHHBVYXLKK-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.63
Rot. Bonds6

About N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide

N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide (PubChem CID 66412524) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
PubChem CID66412524
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC NameN-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
SMILESCCn1cccc1CNc1ccc(F)c(NS(C)(=O)=O)c1
InChIInChI=1S/C14H18FN3O2S/c1-3-18-8-4-5-12(18)10-16-11-6-7-13(15)14(9-11)17-21(2,19)20/h4-9,16-17H,3,10H2,1-2H3
InChIKeyAYYXFHHBVYXLKK-UHFFFAOYSA-N
XLogP2.63
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
CID 66411151
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 66410951
4-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoroaniline
CID 66445212
N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoroaniline
CID 66411289
N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204406
N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43731832
N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine
CID 66411324
N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761228
N-[(1-ethylpyrrol-2-yl)methyl]-3-fluoro-2-methylaniline
CID 66444011
2-chloro-5-[(1-ethylpyrrol-2-yl)methylamino]-N-methylbenzamide
CID 66411778
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline
CID 66412091

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide (CID 66412524) is N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide is CCn1cccc1CNc1ccc(F)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide?
The InChIKey is AYYXFHHBVYXLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-3-18-8-4-5-12(18)10-16-11-6-7-13(15)14(9-11)17-21(2,19)20/h4-9,16-17H,3,10H2,1-2H3.
What are the key properties of N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide?
N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide has a molecular weight of 311.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 66412524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).