4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide

C97H88Cl8N16O11S — CID 158152681

IUPAC4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.CN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.CN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.CS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1
InChIInChI=1S/C25H22Cl2N4O3.C24H22Cl2N4O4S.2C24H22Cl2N4O2/c1-16(32)30-10-12-31(13-11-30)25(34)17-5-7-19(22(27)14-17)24(33)29-18-6-8-21(26)20(15-18)23-4-2-3-9-28-23;1-35(33,34)30-12-10-29(11-13-30)24(32)16-5-7-18(21(26)14-16)23(31)28-17-6-8-20(25)19(15-17)22-4-2-3-9-27-22;2*1-29-10-12-30(13-11-29)24(32)16-5-7-18(21(26)14-16)23(31)28-17-6-8-20(25)19(15-17)22-4-2-3-9-27-22/h2-9,14-15H,10-13H2,1H3,(H,29,33);2-9,14-15H,10-13H2,1H3,(H,28,31);2*2-9,14-15H,10-13H2,1H3,(H,28,31)
InChIKeyFVHRJVDJZVVCJJ-UHFFFAOYSA-N
MW1969.56 g/mol
LogP18.03
Rot. Bonds17

About 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide

4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide (PubChem CID 158152681) has the molecular formula C97H88Cl8N16O11S and a molecular weight of 1969.56 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide
PubChem CID158152681
Molecular FormulaC97H88Cl8N16O11S
Molecular Weight1969.56 g/mol
Exact Mass1964.40
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.CN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.CN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.CS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1
InChIInChI=1S/C25H22Cl2N4O3.C24H22Cl2N4O4S.2C24H22Cl2N4O2/c1-16(32)30-10-12-31(13-11-30)25(34)17-5-7-19(22(27)14-17)24(33)29-18-6-8-21(26)20(15-18)23-4-2-3-9-28-23;1-35(33,34)30-12-10-29(11-13-30)24(32)16-5-7-18(21(26)14-16)23(31)28-17-6-8-20(25)19(15-17)22-4-2-3-9-27-22;2*1-29-10-12-30(13-11-29)24(32)16-5-7-18(21(26)14-16)23(31)28-17-6-8-20(25)19(15-17)22-4-2-3-9-27-22/h2-9,14-15H,10-13H2,1H3,(H,29,33);2-9,14-15H,10-13H2,1H3,(H,28,31);2*2-9,14-15H,10-13H2,1H3,(H,28,31)
InChIKeyFVHRJVDJZVVCJJ-UHFFFAOYSA-N
XLogP18.03
TPSA313.37 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001969.56
LogP ≤ 518.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide with MolForge

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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide
CID 170123949
2-chloro-N-(4-iodo-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide
CID 70797621
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carboximidoyl)benzamide
CID 58614840
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
CID 143831215
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
4-N-(6-amino-3-pyridinyl)-2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide
CID 58614771
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methyl-2-oxopiperazin-1-yl)benzamide
CID 58614668
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide (CID 158152681) is 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide is CC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.CN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.CN1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.CS(=O)(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)c(Cl)c2)CC1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide?
The InChIKey is FVHRJVDJZVVCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O3.C24H22Cl2N4O4S.2C24H22Cl2N4O2/c1-16(32)30-10-12-31(13-11-30)25(34)17-5-7-19(22(27)14-17)24(33)29-18-6-8-21(26)20(15-18)23-4-2-3-9-28-23;1-35(33,34)30-12-10-29(11-13-30)24(32)16-5-7-18(21(26)14-16)23(31)28-17-6-8-20(25)19(15-17)22-4-2-3-9-27-22;2*1-29-10-12-30(13-11-29)24(32)16-5-7-18(21(26)14-16)23(31)28-17-6-8-20(25)19(15-17)22-4-2-3-9-27-22/h2-9,14-15H,10-13H2,1H3,(H,29,33);2-9,14-15H,10-13H2,1H3,(H,28,31);2*2-9,14-15H,10-13H2,1H3,(H,28,31).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide?
4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide has a molecular weight of 1969.56 g/mol, XLogP of 18.03, 17 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide;bis(2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide);2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 158152681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).