1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one

C21H23ClN4O4S — CID 4211136

IUPAC1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one
SMILESCCN1CCN(C(=O)Cn2c(=O)n(S(=O)(=O)c3cccc(Cl)c3)c3ccccc32)CC1
InChIInChI=1S/C21H23ClN4O4S/c1-2-23-10-12-24(13-11-23)20(27)15-25-18-8-3-4-9-19(18)26(21(25)28)31(29,30)17-7-5-6-16(22)14-17/h3-9,14H,2,10-13,15H2,1H3
InChIKeyIECOVPFPRMXMEM-UHFFFAOYSA-N
MW462.96 g/mol
LogP1.86
Rot. Bonds5

About 1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one

1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one (PubChem CID 4211136) has the molecular formula C21H23ClN4O4S and a molecular weight of 462.96 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one
PubChem CID4211136
Molecular FormulaC21H23ClN4O4S
Molecular Weight462.96 g/mol
Exact Mass462.11
IUPAC Name1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one
SMILESCCN1CCN(C(=O)Cn2c(=O)n(S(=O)(=O)c3cccc(Cl)c3)c3ccccc32)CC1
InChIInChI=1S/C21H23ClN4O4S/c1-2-23-10-12-24(13-11-23)20(27)15-25-18-8-3-4-9-19(18)26(21(25)28)31(29,30)17-7-5-6-16(22)14-17/h3-9,14H,2,10-13,15H2,1H3
InChIKeyIECOVPFPRMXMEM-UHFFFAOYSA-N
XLogP1.86
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]sulfonylbenzimidazol-2-one
CID 42792778
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-propylsulfonylbenzimidazol-2-one
CID 42793010
1-(4-bromophenyl)sulfonyl-3-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 42793045
3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 42811335
1-(4-fluorophenyl)sulfonyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 42792986
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-nitrophenyl)sulfonylbenzimidazol-2-one
CID 42792998
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-propylsulfanylethanone
CID 55822268
3-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 9326996
3-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1,3-thiazolidin-2-one
CID 9086296
2-[3-(4-chloro-3-nitrophenyl)sulfonyl-2-oxobenzimidazol-1-yl]acetic acid
CID 5224382

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one (CID 4211136) is 1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one is CCN1CCN(C(=O)Cn2c(=O)n(S(=O)(=O)c3cccc(Cl)c3)c3ccccc32)CC1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one?
The InChIKey is IECOVPFPRMXMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S/c1-2-23-10-12-24(13-11-23)20(27)15-25-18-8-3-4-9-19(18)26(21(25)28)31(29,30)17-7-5-6-16(22)14-17/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one?
1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one has a molecular weight of 462.96 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one is sourced from PubChem (CID 4211136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).