2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide

C13H20FN3O3S — CID 107328387

IUPAC2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide
SMILESCCCC(NS(=O)(=O)c1c(C)cc(F)cc1C)C(N)=NO
InChIInChI=1S/C13H20FN3O3S/c1-4-5-11(13(15)16-18)17-21(19,20)12-8(2)6-10(14)7-9(12)3/h6-7,11,17-18H,4-5H2,1-3H3,(H2,15,16)
InChIKeyMRNQWIMWPGCMES-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.64
Rot. Bonds6

About 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide

2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide (PubChem CID 107328387) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide
PubChem CID107328387
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide
SMILESCCCC(NS(=O)(=O)c1c(C)cc(F)cc1C)C(N)=NO
InChIInChI=1S/C13H20FN3O3S/c1-4-5-11(13(15)16-18)17-21(19,20)12-8(2)6-10(14)7-9(12)3/h6-7,11,17-18H,4-5H2,1-3H3,(H2,15,16)
InChIKeyMRNQWIMWPGCMES-UHFFFAOYSA-N
XLogP1.64
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]butanoic acid
CID 107326445
ethyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 107327014
N'-hydroxy-2-(1H-imidazol-5-ylsulfonylamino)pentanimidamide
CID 77021293
N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106116377
4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107326702
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
(2R)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]pentanoic acid
CID 104935403
N-(4-fluoro-2-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925914
(2R)-2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 107326444
2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
CID 43631259
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
CID 61122063
3-amino-4-fluoro-2,6-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 107325562

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide (CID 107328387) is 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide is CCCC(NS(=O)(=O)c1c(C)cc(F)cc1C)C(N)=NO.
What is the InChIKey of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide?
The InChIKey is MRNQWIMWPGCMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-4-5-11(13(15)16-18)17-21(19,20)12-8(2)6-10(14)7-9(12)3/h6-7,11,17-18H,4-5H2,1-3H3,(H2,15,16).
What are the key properties of 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide?
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide has a molecular weight of 317.39 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 107328387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).