N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide

C15H23FN2O2S — CID 22476564

IUPACN-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCCC1(F)c1ccc(N)cc1
InChIInChI=1S/C15H23FN2O2S/c1-11(2)21(19,20)18-14-5-3-4-10-15(14,16)12-6-8-13(17)9-7-12/h6-9,11,14,18H,3-5,10,17H2,1-2H3
InChIKeyMJMXRLRBSSLVQT-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide

N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide (PubChem CID 22476564) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide
PubChem CID22476564
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCCC1(F)c1ccc(N)cc1
InChIInChI=1S/C15H23FN2O2S/c1-11(2)21(19,20)18-14-5-3-4-10-15(14,16)12-6-8-13(17)9-7-12/h6-9,11,14,18H,3-5,10,17H2,1-2H3
InChIKeyMJMXRLRBSSLVQT-UHFFFAOYSA-N
XLogP2.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.70
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 N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide (CID 22476564) is N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCCC1(F)c1ccc(N)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide?
The InChIKey is MJMXRLRBSSLVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11(2)21(19,20)18-14-5-3-4-10-15(14,16)12-6-8-13(17)9-7-12/h6-9,11,14,18H,3-5,10,17H2,1-2H3.
What are the key properties of N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide?
N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)-2-fluorocyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 22476564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).