4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide

C29H32ClN5O4S — CID 134085061

IUPAC4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C29H32ClN5O4S/c1-22-7-11-24(12-8-22)31-29(37)34-19-20-35(40(38,39)26-13-9-23(30)10-14-26)27(21-34)28(36)33-17-15-32(16-18-33)25-5-3-2-4-6-25/h2-14,27H,15-21H2,1H3,(H,31,37)
InChIKeyUFOXNYDJSRTHKJ-UHFFFAOYSA-N
MW582.13 g/mol
LogP3.90
Rot. Bonds5

About 4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide

4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide (PubChem CID 134085061) has the molecular formula C29H32ClN5O4S and a molecular weight of 582.13 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
PubChem CID134085061
Molecular FormulaC29H32ClN5O4S
Molecular Weight582.13 g/mol
Exact Mass581.19
IUPAC Name4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C29H32ClN5O4S/c1-22-7-11-24(12-8-22)31-29(37)34-19-20-35(40(38,39)26-13-9-23(30)10-14-26)27(21-34)28(36)33-17-15-32(16-18-33)25-5-3-2-4-6-25/h2-14,27H,15-21H2,1H3,(H,31,37)
InChIKeyUFOXNYDJSRTHKJ-UHFFFAOYSA-N
XLogP3.90
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.13
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-cyanophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085066
4-(4-cyanophenyl)sulfonyl-N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085078
[(3R)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 2321362
4-(5-chlorothiophen-2-yl)sulfonyl-N-(4-ethoxyphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide
CID 134085076
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 52724337
4-(4-fluorophenyl)sulfonyl-3-N-methyl-1-N-(4-methylphenyl)piperazine-1,3-dicarboxamide
CID 134084972
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]-3-(4-phenylpiperazine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 134085125
[4-(4-chlorophenyl)sulfonyl-1-phenylpiperazin-2-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 25185336
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
(2R)-1,4-bis(benzenesulfonyl)-N-(4-chlorophenyl)piperazine-2-carboxamide
CID 1106387
N-(4-chlorophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111729

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide (CID 134085061) is 4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)C(C(=O)N3CCN(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide?
The InChIKey is UFOXNYDJSRTHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN5O4S/c1-22-7-11-24(12-8-22)31-29(37)34-19-20-35(40(38,39)26-13-9-23(30)10-14-26)27(21-34)28(36)33-17-15-32(16-18-33)25-5-3-2-4-6-25/h2-14,27H,15-21H2,1H3,(H,31,37).
What are the key properties of 4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide?
4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide has a molecular weight of 582.13 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)-3-(4-phenylpiperazine-1-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 134085061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).