2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole

C17H16ClN3O3S — CID 40782819

IUPAC2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H16ClN3O3S/c18-13-5-7-14(8-6-13)25(22,23)21-11-9-20(10-12-21)17-19-15-3-1-2-4-16(15)24-17/h1-8H,9-12H2
InChIKeyIUIYODGOYCBIPR-UHFFFAOYSA-N
MW377.85 g/mol
LogP2.99
Rot. Bonds3

About 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole

2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole (PubChem CID 40782819) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole
PubChem CID40782819
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C17H16ClN3O3S/c18-13-5-7-14(8-6-13)25(22,23)21-11-9-20(10-12-21)17-19-15-3-1-2-4-16(15)24-17/h1-8H,9-12H2
InChIKeyIUIYODGOYCBIPR-UHFFFAOYSA-N
XLogP2.99
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-chloro-3-methylphenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole
CID 167937061
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 16593927
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
CID 33370889
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
4-(1,3-benzoxazol-2-yl)-N,N-diethylpiperazine-1-sulfonamide
CID 33324562
6-chloro-2-(4-methylsulfonylpiperazin-1-yl)-1,3-benzoxazole
CID 166603660
1-(4-chlorophenyl)sulfonyl-4-(2,6-dichlorophenyl)sulfonylpiperazine
CID 35934098
2-(4-propylpiperazin-1-yl)-1,3-benzoxazole
CID 11395660
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121108011
2-(azonan-1-ylsulfonyl)-1,3-benzoxazole
CID 175303024
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-chlorophenoxy)acetamide
CID 121109465
2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzoxazole
CID 24805905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole (CID 40782819) is 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole?
The InChIKey is IUIYODGOYCBIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c18-13-5-7-14(8-6-13)25(22,23)21-11-9-20(10-12-21)17-19-15-3-1-2-4-16(15)24-17/h1-8H,9-12H2.
What are the key properties of 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole?
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole has a molecular weight of 377.85 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 40782819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).