N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide

C22H26Cl2N2O2S — CID 141403649

IUPACN-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
SMILESNC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H26Cl2N2O2S/c23-20-8-5-14(12-21(20)24)10-19-18-11-15(4-6-16(18)7-9-22(19)25)13-26-29(27,28)17-2-1-3-17/h4-6,8,11-12,17,19,22,26H,1-3,7,9-10,13,25H2
InChIKeyKVJPNTJXFFTLKP-UHFFFAOYSA-N
MW453.44 g/mol
LogP4.57
Rot. Bonds6

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

N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide (PubChem CID 141403649) has the molecular formula C22H26Cl2N2O2S and a molecular weight of 453.44 g/mol. Its IUPAC name is N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide.

Molecular Properties

Compound NameN-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
PubChem CID141403649
Molecular FormulaC22H26Cl2N2O2S
Molecular Weight453.44 g/mol
Exact Mass452.11
IUPAC NameN-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
SMILESNC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H26Cl2N2O2S/c23-20-8-5-14(12-21(20)24)10-19-18-11-15(4-6-16(18)7-9-22(19)25)13-26-29(27,28)17-2-1-3-17/h4-6,8,11-12,17,19,22,26H,1-3,7,9-10,13,25H2
InChIKeyKVJPNTJXFFTLKP-UHFFFAOYSA-N
XLogP4.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide?
The IUPAC name of N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide (CID 141403649) is N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide.
What is the SMILES notation for N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide?
The canonical SMILES for N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide is NC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide?
The InChIKey is KVJPNTJXFFTLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2S/c23-20-8-5-14(12-21(20)24)10-19-18-11-15(4-6-16(18)7-9-22(19)25)13-26-29(27,28)17-2-1-3-17/h4-6,8,11-12,17,19,22,26H,1-3,7,9-10,13,25H2.
What are the key properties of N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide?
N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide has a molecular weight of 453.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide is sourced from PubChem (CID 141403649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).