5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H18F2N2O3S — CID 65102932

IUPAC5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C13H18F2N2O3S/c14-10-6-9(16)7-11(12(10)15)21(19,20)17-8-13(18)4-2-1-3-5-13/h6-7,17-18H,1-5,8,16H2
InChIKeyHRHZAZCFQSIUBY-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.52
Rot. Bonds4

About 5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide

5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 65102932) has the molecular formula C13H18F2N2O3S and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID65102932
Molecular FormulaC13H18F2N2O3S
Molecular Weight320.36 g/mol
Exact Mass320.10
IUPAC Name5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1cc(F)c(F)c(S(=O)(=O)NCC2(O)CCCCC2)c1
InChIInChI=1S/C13H18F2N2O3S/c14-10-6-9(16)7-11(12(10)15)21(19,20)17-8-13(18)4-2-1-3-5-13/h6-7,17-18H,1-5,8,16H2
InChIKeyHRHZAZCFQSIUBY-UHFFFAOYSA-N
XLogP1.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.52
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 5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 65102932) is 5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide is Nc1cc(F)c(F)c(S(=O)(=O)NCC2(O)CCCCC2)c1.
What is the InChIKey of 5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is HRHZAZCFQSIUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3S/c14-10-6-9(16)7-11(12(10)15)21(19,20)17-8-13(18)4-2-1-3-5-13/h6-7,17-18H,1-5,8,16H2.
What are the key properties of 5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide?
5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 320.36 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65102932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).