6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one

C20H20ClN3O5S — CID 53121288

IUPAC6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C20H20ClN3O5S/c1-2-24-17-7-6-16(13-18(17)29-20(24)26)30(27,28)23-10-8-22(9-11-23)19(25)14-4-3-5-15(21)12-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyMYGVJWMEZHJHBN-UHFFFAOYSA-N
MW449.92 g/mol
LogP2.41
Rot. Bonds4

About 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one

6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one (PubChem CID 53121288) has the molecular formula C20H20ClN3O5S and a molecular weight of 449.92 g/mol. Its IUPAC name is 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one
PubChem CID53121288
Molecular FormulaC20H20ClN3O5S
Molecular Weight449.92 g/mol
Exact Mass449.08
IUPAC Name6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C20H20ClN3O5S/c1-2-24-17-7-6-16(13-18(17)29-20(24)26)30(27,28)23-10-8-22(9-11-23)19(25)14-4-3-5-15(21)12-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyMYGVJWMEZHJHBN-UHFFFAOYSA-N
XLogP2.41
TPSA92.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.92
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-ethyl-6-[4-(3-methylbenzoyl)piperazin-1-yl]sulfonyl-1,3-benzoxazol-2-one
CID 53121305
3-ethyl-6-[[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]sulfonyl]-1,3-benzoxazol-2-one
CID 99784761
6-[4-[(2R)-2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one
CID 95089748
6-[4-[2-(3,5-dimethoxyphenyl)acetyl]piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one
CID 53121323
N-[2-[4-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 53121285
N-[4-[2-[4-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53121281
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(3-chlorophenyl)methanone
CID 26905522
6-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 667129
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 20879533
(3-chlorophenyl)-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26181358
N-(3-chloro-4-fluorophenyl)-2-[1-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperidin-4-yl]acetamide
CID 53124877
3-ethyl-N-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92648195

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one (CID 53121288) is 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one?
The InChIKey is MYGVJWMEZHJHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5S/c1-2-24-17-7-6-16(13-18(17)29-20(24)26)30(27,28)23-10-8-22(9-11-23)19(25)14-4-3-5-15(21)12-14/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one?
6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one has a molecular weight of 449.92 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorobenzoyl)piperazin-1-yl]sulfonyl-3-ethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 53121288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).