4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide

C13H18FN3O3S — CID 61126452

IUPAC4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NS(=O)(=O)c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C13H18FN3O3S/c14-11-6-5-10(7-12(11)15)21(19,20)17-9-3-1-8(2-4-9)13(16)18/h5-9,17H,1-4,15H2,(H2,16,18)
InChIKeyFHPHVBIVCVSBAT-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.73
Rot. Bonds4

About 4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide

4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide (PubChem CID 61126452) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide
PubChem CID61126452
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NS(=O)(=O)c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C13H18FN3O3S/c14-11-6-5-10(7-12(11)15)21(19,20)17-9-3-1-8(2-4-9)13(16)18/h5-9,17H,1-4,15H2,(H2,16,18)
InChIKeyFHPHVBIVCVSBAT-UHFFFAOYSA-N
XLogP0.73
TPSA115.28 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 ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide (CID 61126452) is 4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide is NC(=O)C1CCC(NS(=O)(=O)c2ccc(F)c(N)c2)CC1.
What is the InChIKey of 4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide?
The InChIKey is FHPHVBIVCVSBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c14-11-6-5-10(7-12(11)15)21(19,20)17-9-3-1-8(2-4-9)13(16)18/h5-9,17H,1-4,15H2,(H2,16,18).
What are the key properties of 4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide?
4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-4-fluorophenyl)sulfonylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 61126452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).