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

C18H20ClN3O3S — CID 1254419

IUPAC4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-26(24,25)22-12-10-21(11-13-22)17-5-3-2-4-16(17)20-18(23)14-6-8-15(19)9-7-14/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyZRYZIAVMCILNBY-UHFFFAOYSA-N
MW393.90 g/mol
LogP2.67
Rot. Bonds4

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

4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide (PubChem CID 1254419) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
PubChem CID1254419
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC Name4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN3O3S/c1-26(24,25)22-12-10-21(11-13-22)17-5-3-2-4-16(17)20-18(23)14-6-8-15(19)9-7-14/h2-9H,10-13H2,1H3,(H,20,23)
InChIKeyZRYZIAVMCILNBY-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

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Related Compounds

CID 42266988
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CID 2812624
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CID 897167
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CID 720118
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CID 44349026
CID 44349026
CID 3278385
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CID 4020692
CID 4020692
CID 8900561
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CID 558758
CID 558758
CID 1020207
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CID 1290444
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CID 471630
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide (CID 1254419) is 4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide is CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is ZRYZIAVMCILNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-26(24,25)22-12-10-21(11-13-22)17-5-3-2-4-16(17)20-18(23)14-6-8-15(19)9-7-14/h2-9H,10-13H2,1H3,(H,20,23).
What are the key properties of 4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide?
4-chloro-N-[2-(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 4-chloro-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 1254419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).