2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide

C13H18FN3O3S — CID 76978973

IUPAC2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C13H18FN3O3S/c1-8-5-6-9(14)7-12(8)21(19,20)17-11-4-2-3-10(11)13(15)16-18/h5-7,10-11,17-18H,2-4H2,1H3,(H2,15,16)
InChIKeyKTYHGMPJXBLXFH-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.33
Rot. Bonds4

About 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide

2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide (PubChem CID 76978973) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
PubChem CID76978973
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C13H18FN3O3S/c1-8-5-6-9(14)7-12(8)21(19,20)17-11-4-2-3-10(11)13(15)16-18/h5-7,10-11,17-18H,2-4H2,1H3,(H2,15,16)
InChIKeyKTYHGMPJXBLXFH-UHFFFAOYSA-N
XLogP1.33
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.33
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide (CID 76978973) is 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide is Cc1ccc(F)cc1S(=O)(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
The InChIKey is KTYHGMPJXBLXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-8-5-6-9(14)7-12(8)21(19,20)17-11-4-2-3-10(11)13(15)16-18/h5-7,10-11,17-18H,2-4H2,1H3,(H2,15,16).
What are the key properties of 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide?
2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide has a molecular weight of 315.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxycyclopentane-1-carboximidamide is sourced from PubChem (CID 76978973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).