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

C23H30Cl2N2O2S — CID 57471348

IUPACN-[3-[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2
InChIInChI=1S/C23H30Cl2N2O2S/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
InChIKeyFIPOKRAFDHENLG-UHFFFAOYSA-N
MW469.48 g/mol
LogP4.86
Rot. Bonds9

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

N-[3-[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide (PubChem CID 57471348) has the molecular formula C23H30Cl2N2O2S and a molecular weight of 469.48 g/mol. Its IUPAC name is N-[3-[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
PubChem CID57471348
Molecular FormulaC23H30Cl2N2O2S
Molecular Weight469.48 g/mol
Exact Mass468.14
IUPAC NameN-[3-[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2
InChIInChI=1S/C23H30Cl2N2O2S/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
InChIKeyFIPOKRAFDHENLG-UHFFFAOYSA-N
XLogP4.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)methanesulfonamide
CID 44408757
(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-7-(methylsulfinylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 44408922
(3-chlorophenyl)-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)methanesulfonamide
CID 44426012
N-(3-(7-Amino-8-(4-chlorobenzyl)-5,6,7,8-tetrahydronaphthalen-2-yl)propyl)-1-cyclopropylmethanesulfonamide
CID 57467313
N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 57467330
N-[3-[8-[(4-chlorophenyl)methyl]-7-(diethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
CID 57467345
1-[(3-Chlorophenyl)methyl]-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467380
N-[[7-amino-8-[(3-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 57471310
N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide
CID 57471357
N-[3-[7-amino-8-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropylmethanesulfonamide
CID 57471359
N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 57471387
N-[3-[7-amino-8-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-N-methylpropane-1-sulfonamide
CID 57471389

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide?
The IUPAC name of N-[3-[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide (CID 57471348) is N-[3-[7-amino-8-[(3,4-dichlorophenyl)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-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCCc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N)CC2.
What is the InChIKey of N-[3-[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide?
The InChIKey is FIPOKRAFDHENLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N2O2S/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-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide?
N-[3-[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide has a molecular weight of 469.48 g/mol, XLogP of 4.86, 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-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]propane-1-sulfonamide is sourced from PubChem (CID 57471348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).