2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide

C18H20ClN3O3S — CID 110362862

IUPAC2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(c2cccc(NC(=O)c3ccccc3Cl)c2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-26(24,25)22-11-9-21(10-12-22)15-6-4-5-14(13-15)20-18(23)16-7-2-3-8-17(16)19/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyRXADKKBAUKFAPW-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide

2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide (PubChem CID 110362862) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
PubChem CID110362862
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(c2cccc(NC(=O)c3ccccc3Cl)c2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-26(24,25)22-11-9-21(10-12-22)15-6-4-5-14(13-15)20-18(23)16-7-2-3-8-17(16)19/h2-8,13H,9-12H2,1H3,(H,20,23)
InChIKeyRXADKKBAUKFAPW-UHFFFAOYSA-N
XLogP2.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-(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

5-chloro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 3266339
2-chloro-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3656658
2-chloro-4-methyl-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1396003
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 110362881
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 110362877
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide (CID 110362862) is 2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide is CS(=O)(=O)N1CCN(c2cccc(NC(=O)c3ccccc3Cl)c2)CC1.
What is the InChIKey of 2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is RXADKKBAUKFAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-26(24,25)22-11-9-21(10-12-22)15-6-4-5-14(13-15)20-18(23)16-7-2-3-8-17(16)19/h2-8,13H,9-12H2,1H3,(H,20,23).
What are the key properties of 2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 393.90 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 110362862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).