N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide

C11H13FN4O2S — CID 62761228

IUPACN-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NCc2cnc[nH]2)ccc1F
InChIInChI=1S/C11H13FN4O2S/c1-19(17,18)16-11-4-8(2-3-10(11)12)14-6-9-5-13-7-15-9/h2-5,7,14,16H,6H2,1H3,(H,13,15)
InChIKeyBZTXSXMTAKHFJX-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.53
Rot. Bonds5

About N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide

N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 62761228) has the molecular formula C11H13FN4O2S and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
PubChem CID62761228
Molecular FormulaC11H13FN4O2S
Molecular Weight284.32 g/mol
Exact Mass284.07
IUPAC NameN-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NCc2cnc[nH]2)ccc1F
InChIInChI=1S/C11H13FN4O2S/c1-19(17,18)16-11-4-8(2-3-10(11)12)14-6-9-5-13-7-15-9/h2-5,7,14,16H,6H2,1H3,(H,13,15)
InChIKeyBZTXSXMTAKHFJX-UHFFFAOYSA-N
XLogP1.53
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide
CID 62761582
3-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 24945906
4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
CID 59728218
N-[2-fluoro-5-(2-methylpropylamino)phenyl]methanesulfonamide
CID 43731832
N-[5-[(1-ethylpyrrol-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66412524
N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204406
N-[5-[(3-bromothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 115380061
N-[5-[(3-aminothiophen-2-yl)methylamino]-2-fluorophenyl]methanesulfonamide
CID 66387952
2-fluoro-N-(1H-imidazol-5-ylmethyl)-5-nitroaniline
CID 62761580
N-[2-fluoro-5-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]phenyl]methanesulfonamide
CID 68941368
N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylaniline
CID 62763159
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide (CID 62761228) is N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(NCc2cnc[nH]2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is BZTXSXMTAKHFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2S/c1-19(17,18)16-11-4-8(2-3-10(11)12)14-6-9-5-13-7-15-9/h2-5,7,14,16H,6H2,1H3,(H,13,15).
What are the key properties of N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide?
N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 284.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(1H-imidazol-5-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 62761228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).