N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide

C10H16FN3O2S — CID 106333751

IUPACN-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1cc(F)ccc1N
InChIInChI=1S/C10H16FN3O2S/c1-17(15,16)14-6-2-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyAZMBQAMSZYPATH-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.76
Rot. Bonds6

About N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide

N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide (PubChem CID 106333751) has the molecular formula C10H16FN3O2S and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
PubChem CID106333751
Molecular FormulaC10H16FN3O2S
Molecular Weight261.32 g/mol
Exact Mass261.09
IUPAC NameN-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNc1cc(F)ccc1N
InChIInChI=1S/C10H16FN3O2S/c1-17(15,16)14-6-2-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyAZMBQAMSZYPATH-UHFFFAOYSA-N
XLogP0.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-amino-5-bromoanilino)propyl]methanesulfonamide
CID 114174825
2-amino-5-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333204
N-[3-(5-fluoro-2-nitroanilino)propyl]methanesulfonamide
CID 107302314
4-(2-amino-5-fluoroanilino)butan-1-ol
CID 58656023
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547
3-amino-4-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333712
N-[3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]propyl]methanesulfonamide
CID 106333885
5-amino-2-[3-(methanesulfonamido)propylamino]benzenesulfonamide
CID 106333697
N-[3-(4-amino-2-bromoanilino)propyl]methanesulfonamide
CID 106333784
2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
CID 62376760
N-[3-[4-amino-3-(cyanomethyl)anilino]propyl]methanesulfonamide
CID 106333705
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide (CID 106333751) is N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNc1cc(F)ccc1N.
What is the InChIKey of N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide?
The InChIKey is AZMBQAMSZYPATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O2S/c1-17(15,16)14-6-2-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6,12H2,1H3.
What are the key properties of N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide?
N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide is sourced from PubChem (CID 106333751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).