4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide

C14H21FN2O2S — CID 63242765

IUPAC4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(N)cc2F)CC1
InChIInChI=1S/C14H21FN2O2S/c1-10-2-4-11(5-3-10)9-17-20(18,19)14-7-6-12(16)8-13(14)15/h6-8,10-11,17H,2-5,9,16H2,1H3
InChIKeyWANIKMWTZFXVPQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.51
Rot. Bonds4

About 4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide

4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 63242765) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID63242765
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(N)cc2F)CC1
InChIInChI=1S/C14H21FN2O2S/c1-10-2-4-11(5-3-10)9-17-20(18,19)14-7-6-12(16)8-13(14)15/h6-8,10-11,17H,2-5,9,16H2,1H3
InChIKeyWANIKMWTZFXVPQ-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide (CID 63242765) is 4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCC(CNS(=O)(=O)c2ccc(N)cc2F)CC1.
What is the InChIKey of 4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is WANIKMWTZFXVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10-2-4-11(5-3-10)9-17-20(18,19)14-7-6-12(16)8-13(14)15/h6-8,10-11,17H,2-5,9,16H2,1H3.
What are the key properties of 4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63242765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).