N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide

C19H22ClN3O3S — CID 1019162

IUPACN-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O
InChIInChI=1S/C19H22ClN3O3S/c1-21(27(2,25)26)18-9-4-3-8-17(18)19(24)23-12-10-22(11-13-23)16-7-5-6-15(20)14-16/h3-9,14H,10-13H2,1-2H3
InChIKeyDGYIXMUSCOUTJZ-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.70
Rot. Bonds4

About N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide

N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 1019162) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
PubChem CID1019162
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O
InChIInChI=1S/C19H22ClN3O3S/c1-21(27(2,25)26)18-9-4-3-8-17(18)19(24)23-12-10-22(11-13-23)16-7-5-6-15(20)14-16/h3-9,14H,10-13H2,1-2H3
InChIKeyDGYIXMUSCOUTJZ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
1-(3-Chlorophenyl)-4-(4-fluorobenzoyl)piperazine
CID 681767
1-(3-Chlorophenyl)-4-[(3-chlorophenyl)carbonyl]piperazine
CID 702506
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2473148
N-(2-chlorobenzyl)-N-[4-(pyrrolidin-1-ylcarbonyl)phenyl]methanesulfonamide
CID 3492355
4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
CID 558758
N-benzyl-N-{2-[(4-methyl-1-piperazinyl)carbonyl]phenyl}methanesulfonamide
CID 1233877
Ethyl 4-{2-[methyl(methylsulfonyl)amino]benzoyl}-1-piperazinecarboxylate
CID 2212317
N-[4-(3-Chloro-phenyl)-piperazin-2-ylmethyl]-4-methanesulfonylamino-benzamide
CID 14998858

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide (CID 1019162) is N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide is CN(c1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is DGYIXMUSCOUTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-21(27(2,25)26)18-9-4-3-8-17(18)19(24)23-12-10-22(11-13-23)16-7-5-6-15(20)14-16/h3-9,14H,10-13H2,1-2H3.
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 407.92 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 1019162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).