3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide

C20H21N5O4S — CID 18270283

IUPAC3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nn3cnc4ccccc43)c2)CC1
InChIInChI=1S/C20H21N5O4S/c1-15(26)23-9-11-24(12-10-23)30(28,29)17-6-4-5-16(13-17)20(27)22-25-14-21-18-7-2-3-8-19(18)25/h2-8,13-14H,9-12H2,1H3,(H,22,27)
InChIKeyZCHKWIDFJWXVSU-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.27
Rot. Bonds4

About 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide

3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide (PubChem CID 18270283) has the molecular formula C20H21N5O4S and a molecular weight of 427.49 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide
PubChem CID18270283
Molecular FormulaC20H21N5O4S
Molecular Weight427.49 g/mol
Exact Mass427.13
IUPAC Name3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nn3cnc4ccccc43)c2)CC1
InChIInChI=1S/C20H21N5O4S/c1-15(26)23-9-11-24(12-10-23)30(28,29)17-6-4-5-16(13-17)20(27)22-25-14-21-18-7-2-3-8-19(18)25/h2-8,13-14H,9-12H2,1H3,(H,22,27)
InChIKeyZCHKWIDFJWXVSU-UHFFFAOYSA-N
XLogP1.27
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide (CID 18270283) is 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nn3cnc4ccccc43)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide?
The InChIKey is ZCHKWIDFJWXVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S/c1-15(26)23-9-11-24(12-10-23)30(28,29)17-6-4-5-16(13-17)20(27)22-25-14-21-18-7-2-3-8-19(18)25/h2-8,13-14H,9-12H2,1H3,(H,22,27).
What are the key properties of 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide?
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide has a molecular weight of 427.49 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(benzimidazol-1-yl)benzamide is sourced from PubChem (CID 18270283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).