N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide

C20H24ClN3O3S — CID 1019161

IUPACN-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C20H24ClN3O3S/c1-15-8-9-16(21)14-19(15)23-10-12-24(13-11-23)20(25)17-6-4-5-7-18(17)22(2)28(3,26)27/h4-9,14H,10-13H2,1-3H3
InChIKeyHYHQTJDGMBHBEF-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.01
Rot. Bonds4

About N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide

N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide (PubChem CID 1019161) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
PubChem CID1019161
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C20H24ClN3O3S/c1-15-8-9-16(21)14-19(15)23-10-12-24(13-11-23)20(25)17-6-4-5-7-18(17)22(2)28(3,26)27/h4-9,14H,10-13H2,1-3H3
InChIKeyHYHQTJDGMBHBEF-UHFFFAOYSA-N
XLogP3.01
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 1019171
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 4558593
(5-amino-2-methylphenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120639560
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-naphthalen-2-ylmethanone
CID 2097236
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-3-nitrophenyl)methanone
CID 162672041
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[2-(dimethylamino)-5-nitrophenyl]methanone
CID 9272802
N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]-N-methylmethanesulfonamide
CID 50946547
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
(2-chloro-6-fluorophenyl)-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 36944785
1-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 900483

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide (CID 1019161) is N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide is Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2N(C)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
The InChIKey is HYHQTJDGMBHBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-15-8-9-16(21)14-19(15)23-10-12-24(13-11-23)20(25)17-6-4-5-7-18(17)22(2)28(3,26)27/h4-9,14H,10-13H2,1-3H3.
What are the key properties of N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide?
N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 421.95 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 1019161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).