N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

C19H32FN3O2S — CID 70939338

IUPACN-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNCCNc2ccc(F)cc2)CC1
InChIInChI=1S/C19H32FN3O2S/c1-19(2,3)26(24,25)23-18-8-4-15(5-9-18)14-21-12-13-22-17-10-6-16(20)7-11-17/h6-7,10-11,15,18,21-23H,4-5,8-9,12-14H2,1-3H3
InChIKeyPOGWYTJOXHLGTI-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.10
Rot. Bonds8

About N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 70939338) has the molecular formula C19H32FN3O2S and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID70939338
Molecular FormulaC19H32FN3O2S
Molecular Weight385.55 g/mol
Exact Mass385.22
IUPAC NameN-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNCCNc2ccc(F)cc2)CC1
InChIInChI=1S/C19H32FN3O2S/c1-19(2,3)26(24,25)23-18-8-4-15(5-9-18)14-21-12-13-22-17-10-6-16(20)7-11-17/h6-7,10-11,15,18,21-23H,4-5,8-9,12-14H2,1-3H3
InChIKeyPOGWYTJOXHLGTI-UHFFFAOYSA-N
XLogP3.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (CID 70939338) is N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNCCNc2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is POGWYTJOXHLGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN3O2S/c1-19(2,3)26(24,25)23-18-8-4-15(5-9-18)14-21-12-13-22-17-10-6-16(20)7-11-17/h6-7,10-11,15,18,21-23H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 385.55 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).