4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide

C24H33N3O2S — CID 24763183

IUPAC4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2CCc3c(C)ccc(N4CCN(C)CC4)c3C2)cc1
InChIInChI=1S/C24H33N3O2S/c1-4-19-6-9-21(10-7-19)30(28,29)25-20-8-11-22-18(2)5-12-24(23(22)17-20)27-15-13-26(3)14-16-27/h5-7,9-10,12,20,25H,4,8,11,13-17H2,1-3H3/t20-/m1/s1
InChIKeyZTIHRKGUOZNOSK-HXUWFJFHSA-N
MW427.61 g/mol
LogP3.15
Rot. Bonds5

About 4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide

4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide (PubChem CID 24763183) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is 4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide
PubChem CID24763183
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC Name4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)N[C@@H]2CCc3c(C)ccc(N4CCN(C)CC4)c3C2)cc1
InChIInChI=1S/C24H33N3O2S/c1-4-19-6-9-21(10-7-19)30(28,29)25-20-8-11-22-18(2)5-12-24(23(22)17-20)27-15-13-26(3)14-16-27/h5-7,9-10,12,20,25H,4,8,11,13-17H2,1-3H3/t20-/m1/s1
InChIKeyZTIHRKGUOZNOSK-HXUWFJFHSA-N
XLogP3.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 68959952
N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide
CID 24762774
5-(benzenesulfonyl)-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thiophene-2-sulfonamide
CID 24762854
4-chloro-N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 18622549
4-ethyl-N-(1-methylsulfonylpiperidin-4-yl)benzenesulfonamide
CID 110714982
4-(4-ethylphenyl)-N-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 54131278
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887425
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
CID 113097011
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 31826579
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
4-ethyl-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097097
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide (CID 24763183) is 4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)N[C@@H]2CCc3c(C)ccc(N4CCN(C)CC4)c3C2)cc1.
What is the InChIKey of 4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide?
The InChIKey is ZTIHRKGUOZNOSK-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-4-19-6-9-21(10-7-19)30(28,29)25-20-8-11-22-18(2)5-12-24(23(22)17-20)27-15-13-26(3)14-16-27/h5-7,9-10,12,20,25H,4,8,11,13-17H2,1-3H3/t20-/m1/s1.
What are the key properties of 4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide?
4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide has a molecular weight of 427.61 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(2R)-5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzenesulfonamide is sourced from PubChem (CID 24763183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).