[4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone

C15H18N4O3S — CID 110817576

IUPAC[4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H18N4O3S/c20-15(11-1-2-11)18-5-7-19(8-6-18)23(21,22)12-3-4-13-14(9-12)17-10-16-13/h3-4,9-11H,1-2,5-8H2,(H,16,17)
InChIKeyWRYXYKSQCHROLD-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.81
Rot. Bonds3

About [4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone

[4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 110817576) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is [4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID110817576
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name[4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C15H18N4O3S/c20-15(11-1-2-11)18-5-7-19(8-6-18)23(21,22)12-3-4-13-14(9-12)17-10-16-13/h3-4,9-11H,1-2,5-8H2,(H,16,17)
InChIKeyWRYXYKSQCHROLD-UHFFFAOYSA-N
XLogP0.81
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone (CID 110817576) is [4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(S(=O)(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of [4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is WRYXYKSQCHROLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c20-15(11-1-2-11)18-5-7-19(8-6-18)23(21,22)12-3-4-13-14(9-12)17-10-16-13/h3-4,9-11H,1-2,5-8H2,(H,16,17).
What are the key properties of [4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 334.40 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3H-benzimidazol-5-ylsulfonyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 110817576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).