N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide

C29H28Cl2N4O3S — CID 143654790

IUPACN-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)NCC3CC(c4ccc(C)cc4)N(c4ccc(Cl)cc4Cl)N3)cccc12
InChIInChI=1S/C29H28Cl2N4O3S/c1-18-9-11-20(12-10-18)28-16-22(34-35(28)27-14-13-21(30)15-25(27)31)17-32-39(37,38)29-8-4-5-23-24(29)6-3-7-26(23)33-19(2)36/h3-15,22,28,32,34H,16-17H2,1-2H3,(H,33,36)
InChIKeyPVSPWGNHHDONOR-UHFFFAOYSA-N
MW583.54 g/mol
LogP6.22
Rot. Bonds7

About N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide

N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide (PubChem CID 143654790) has the molecular formula C29H28Cl2N4O3S and a molecular weight of 583.54 g/mol. Its IUPAC name is N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide
PubChem CID143654790
Molecular FormulaC29H28Cl2N4O3S
Molecular Weight583.54 g/mol
Exact Mass582.13
IUPAC NameN-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)NCC3CC(c4ccc(C)cc4)N(c4ccc(Cl)cc4Cl)N3)cccc12
InChIInChI=1S/C29H28Cl2N4O3S/c1-18-9-11-20(12-10-18)28-16-22(34-35(28)27-14-13-21(30)15-25(27)31)17-32-39(37,38)29-8-4-5-23-24(29)6-3-7-26(23)33-19(2)36/h3-15,22,28,32,34H,16-17H2,1-2H3,(H,33,36)
InChIKeyPVSPWGNHHDONOR-UHFFFAOYSA-N
XLogP6.22
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.54
LogP ≤ 56.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69118403
N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
N-[5-[(2-chlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048605
[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69028182
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048670
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-methylquinoline-8-sulfonamide;hydrochloride
CID 25055702
N-[3-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylsulfamoyl]-4-ethoxyphenyl]acetamide
CID 59410988
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
chloro 5-acetamidonaphthalene-1-sulfonate
CID 141053746
N-[[2-(2,4-dichlorophenyl)-3-(4-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 59411051
N-[[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 59411095
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 25057334

Frequently Asked Questions

What is the IUPAC name of N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide?
The IUPAC name of N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide (CID 143654790) is N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide.
What is the SMILES notation for N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide?
The canonical SMILES for N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c(S(=O)(=O)NCC3CC(c4ccc(C)cc4)N(c4ccc(Cl)cc4Cl)N3)cccc12.
What is the InChIKey of N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide?
The InChIKey is PVSPWGNHHDONOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N4O3S/c1-18-9-11-20(12-10-18)28-16-22(34-35(28)27-14-13-21(30)15-25(27)31)17-32-39(37,38)29-8-4-5-23-24(29)6-3-7-26(23)33-19(2)36/h3-15,22,28,32,34H,16-17H2,1-2H3,(H,33,36).
What are the key properties of N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide?
N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide has a molecular weight of 583.54 g/mol, XLogP of 6.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazolidin-3-yl]methylsulfamoyl]naphthalen-1-yl]acetamide is sourced from PubChem (CID 143654790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).