3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C19H20N4O3S — CID 24979444

IUPAC3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-2-5-16(6-3-14)27(25,26)23-10-8-22(9-11-23)19(24)15-4-7-17-18(12-15)21-13-20-17/h2-7,12-13H,8-11H2,1H3,(H,20,21)
InChIKeyVPJKAVZRVCVOIS-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.02
Rot. Bonds3

About 3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 24979444) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID24979444
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-2-5-16(6-3-14)27(25,26)23-10-8-22(9-11-23)19(24)15-4-7-17-18(12-15)21-13-20-17/h2-7,12-13H,8-11H2,1H3,(H,20,21)
InChIKeyVPJKAVZRVCVOIS-UHFFFAOYSA-N
XLogP2.02
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 24979444) is 3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is VPJKAVZRVCVOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-2-5-16(6-3-14)27(25,26)23-10-8-22(9-11-23)19(24)15-4-7-17-18(12-15)21-13-20-17/h2-7,12-13H,8-11H2,1H3,(H,20,21).
What are the key properties of 3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 384.46 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 24979444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).