2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide

C18H27Cl2N3O3S — CID 27182964

IUPAC2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C(C)C
InChIInChI=1S/C18H27Cl2N3O3S/c1-13(2)23(14(3)4)18(24)12-21-7-9-22(10-8-21)27(25,26)17-11-15(19)5-6-16(17)20/h5-6,11,13-14H,7-10,12H2,1-4H3
InChIKeyOEINDFCWTNBJMD-UHFFFAOYSA-N
MW436.41 g/mol
LogP2.95
Rot. Bonds6

About 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide

2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 27182964) has the molecular formula C18H27Cl2N3O3S and a molecular weight of 436.41 g/mol. Its IUPAC name is 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID27182964
Molecular FormulaC18H27Cl2N3O3S
Molecular Weight436.41 g/mol
Exact Mass435.12
IUPAC Name2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C(C)C
InChIInChI=1S/C18H27Cl2N3O3S/c1-13(2)23(14(3)4)18(24)12-21-7-9-22(10-8-21)27(25,26)17-11-15(19)5-6-16(17)20/h5-6,11,13-14H,7-10,12H2,1-4H3
InChIKeyOEINDFCWTNBJMD-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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Related Compounds

2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 9349006
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4194583
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 46630724
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 3236568
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 20970600
N-(2,6-dichlorophenyl)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 2685785
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8747656
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
(2S)-2-amino-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265676
1-(2,5-dichlorophenyl)sulfonyl-N-pentan-2-ylpiperidine-4-carboxamide
CID 3157096
(2R)-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8748349

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide (CID 27182964) is 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)C(C)C.
What is the InChIKey of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is OEINDFCWTNBJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27Cl2N3O3S/c1-13(2)23(14(3)4)18(24)12-21-7-9-22(10-8-21)27(25,26)17-11-15(19)5-6-16(17)20/h5-6,11,13-14H,7-10,12H2,1-4H3.
What are the key properties of 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[4-(2,5-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-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 27182964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).