N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide

C23H30F2N2O2S — CID 57471350

IUPACN-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(F)c(F)c1)C(N)CC2
InChIInChI=1S/C23H30F2N2O2S/c1-2-12-30(28,29)27-11-3-4-16-5-7-18-8-10-23(26)20(19(18)13-16)14-17-6-9-21(24)22(25)15-17/h5-7,9,13,15,20,23,27H,2-4,8,10-12,14,26H2,1H3
InChIKeyMKHJADDECCYHKH-UHFFFAOYSA-N
MW436.57 g/mol
LogP3.83
Rot. Bonds9

About N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide

N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide (PubChem CID 57471350) has the molecular formula C23H30F2N2O2S and a molecular weight of 436.57 g/mol. Its IUPAC name is N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
PubChem CID57471350
Molecular FormulaC23H30F2N2O2S
Molecular Weight436.57 g/mol
Exact Mass436.20
IUPAC NameN-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(F)c(F)c1)C(N)CC2
InChIInChI=1S/C23H30F2N2O2S/c1-2-12-30(28,29)27-11-3-4-16-5-7-18-8-10-23(26)20(19(18)13-16)14-17-6-9-21(24)22(25)15-17/h5-7,9,13,15,20,23,27H,2-4,8,10-12,14,26H2,1H3
InChIKeyMKHJADDECCYHKH-UHFFFAOYSA-N
XLogP3.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-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-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide (CID 57471350) is N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(F)c(F)c1)C(N)CC2.
What is the InChIKey of N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide?
The InChIKey is MKHJADDECCYHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F2N2O2S/c1-2-12-30(28,29)27-11-3-4-16-5-7-18-8-10-23(26)20(19(18)13-16)14-17-6-9-21(24)22(25)15-17/h5-7,9,13,15,20,23,27H,2-4,8,10-12,14,26H2,1H3.
What are the key properties of N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide?
N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide has a molecular weight of 436.57 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-amino-8-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide is sourced from PubChem (CID 57471350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).