2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide

C18H27Cl2N3O3S — CID 27194119

IUPAC2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)C(C)C
InChIInChI=1S/C18H27Cl2N3O3S/c1-13(2)23(14(3)4)17(24)12-21-8-10-22(11-9-21)27(25,26)16-7-5-6-15(19)18(16)20/h5-7,13-14H,8-12H2,1-4H3
InChIKeyFGDHAEXHUKFSEB-UHFFFAOYSA-N
MW436.41 g/mol
LogP2.95
Rot. Bonds6

About 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 27194119) has the molecular formula C18H27Cl2N3O3S and a molecular weight of 436.41 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID27194119
Molecular FormulaC18H27Cl2N3O3S
Molecular Weight436.41 g/mol
Exact Mass435.12
IUPAC Name2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)C(C)C
InChIInChI=1S/C18H27Cl2N3O3S/c1-13(2)23(14(3)4)17(24)12-21-8-10-22(11-9-21)27(25,26)16-7-5-6-15(19)18(16)20/h5-7,13-14H,8-12H2,1-4H3
InChIKeyFGDHAEXHUKFSEB-UHFFFAOYSA-N
XLogP2.95
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 27194119) is 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)C(C)C.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is FGDHAEXHUKFSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N3O3S/c1-13(2)23(14(3)4)17(24)12-21-8-10-22(11-9-21)27(25,26)16-7-5-6-15(19)18(16)20/h5-7,13-14H,8-12H2,1-4H3.
What are the key properties of 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 436.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 27194119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).