N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide

C24H29ClN4O2S — CID 57487151

IUPACN-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide
SMILESCNC1CCc2ccc(CCNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1cccc(Cl)c1
InChIInChI=1S/C24H29ClN4O2S/c1-26-23-9-8-19-7-6-17(10-11-28-32(30,31)24-15-29(2)16-27-24)13-21(19)22(23)14-18-4-3-5-20(25)12-18/h3-7,12-13,15-16,22-23,26,28H,8-11,14H2,1-2H3
InChIKeyBWMPTIVUSBYGFQ-UHFFFAOYSA-N
MW473.04 g/mol
LogP3.45
Rot. Bonds8

About N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide

N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide (PubChem CID 57487151) has the molecular formula C24H29ClN4O2S and a molecular weight of 473.04 g/mol. Its IUPAC name is N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide
PubChem CID57487151
Molecular FormulaC24H29ClN4O2S
Molecular Weight473.04 g/mol
Exact Mass472.17
IUPAC NameN-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide
SMILESCNC1CCc2ccc(CCNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1cccc(Cl)c1
InChIInChI=1S/C24H29ClN4O2S/c1-26-23-9-8-19-7-6-17(10-11-28-32(30,31)24-15-29(2)16-27-24)13-21(19)22(23)14-18-4-3-5-20(25)12-18/h3-7,12-13,15-16,22-23,26,28H,8-11,14H2,1-2H3
InChIKeyBWMPTIVUSBYGFQ-UHFFFAOYSA-N
XLogP3.45
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.04
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide (CID 57487151) is N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide is CNC1CCc2ccc(CCNS(=O)(=O)c3cn(C)cn3)cc2C1Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide?
The InChIKey is BWMPTIVUSBYGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2S/c1-26-23-9-8-19-7-6-17(10-11-28-32(30,31)24-15-29(2)16-27-24)13-21(19)22(23)14-18-4-3-5-20(25)12-18/h3-7,12-13,15-16,22-23,26,28H,8-11,14H2,1-2H3.
What are the key properties of N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide?
N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide has a molecular weight of 473.04 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-[(3-chlorophenyl)methyl]-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]ethyl]-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 57487151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).