2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide

C19H22ClN3O3S — CID 1396003

IUPAC2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O3S/c1-14-3-8-17(18(20)13-14)19(24)21-15-4-6-16(7-5-15)22-9-11-23(12-10-22)27(2,25)26/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyVFIIZPVBLHTMFJ-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.98
Rot. Bonds4

About 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide

2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide (PubChem CID 1396003) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
PubChem CID1396003
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c(Cl)c1
InChIInChI=1S/C19H22ClN3O3S/c1-14-3-8-17(18(20)13-14)19(24)21-15-4-6-16(7-5-15)22-9-11-23(12-10-22)27(2,25)26/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyVFIIZPVBLHTMFJ-UHFFFAOYSA-N
XLogP2.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 21229733
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-chloro-4-methylbenzamide
CID 3383622
2-chloro-4-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]benzamide
CID 17358170
2-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-methylbenzamide
CID 6965027
5-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 3266339
2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 110362862
2-chloro-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3656658
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
5-bromo-2-methoxy-3-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1299265
2-chloro-4-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522117
2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4857710
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100522105

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide (CID 1396003) is 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is VFIIZPVBLHTMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-14-3-8-17(18(20)13-14)19(24)21-15-4-6-16(7-5-15)22-9-11-23(12-10-22)27(2,25)26/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 407.92 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1396003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).