[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone

C19H22ClN3O3S — CID 7408927

IUPAC[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H22ClN3O3S/c1-21(2)17-5-3-4-15(14-17)19(24)22-10-12-23(13-11-22)27(25,26)18-8-6-16(20)7-9-18/h3-9,14H,10-13H2,1-2H3
InChIKeyNEJJHKDBQGUAJO-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.55
Rot. Bonds4

About [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone (PubChem CID 7408927) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
PubChem CID7408927
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C19H22ClN3O3S/c1-21(2)17-5-3-4-15(14-17)19(24)22-10-12-23(13-11-22)27(25,26)18-8-6-16(20)7-9-18/h3-9,14H,10-13H2,1-2H3
InChIKeyNEJJHKDBQGUAJO-UHFFFAOYSA-N
XLogP2.55
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26204325
[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 9150197
4-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]sulfonylbenzonitrile
CID 41283435
[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 27829290
N-[3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 17391677
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 26202322
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 9368920
3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 18382093
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(2-chloro-4-pyridinyl)methanone
CID 34182939
3H-benzimidazol-5-yl-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26866142
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-3-pyrrol-1-ylphenyl)methanone
CID 24594160
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone (CID 7408927) is [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The InChIKey is NEJJHKDBQGUAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-21(2)17-5-3-4-15(14-17)19(24)22-10-12-23(13-11-22)27(25,26)18-8-6-16(20)7-9-18/h3-9,14H,10-13H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone?
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone has a molecular weight of 407.92 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 7408927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).