4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide

C24H30ClN3O4S — CID 1005987

IUPAC4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H30ClN3O4S/c25-19-5-4-8-21(17-19)27-13-15-28(16-14-27)24(29)18-32-22-9-11-23(12-10-22)33(30,31)26-20-6-2-1-3-7-20/h4-5,8-12,17,20,26H,1-3,6-7,13-16,18H2
InChIKeyCBAJYRTZOROGSC-UHFFFAOYSA-N
MW492.04 g/mol
LogP3.68
Rot. Bonds7

About 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide

4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide (PubChem CID 1005987) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide
PubChem CID1005987
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC Name4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C24H30ClN3O4S/c25-19-5-4-8-21(17-19)27-13-15-28(16-14-27)24(29)18-32-22-9-11-23(12-10-22)33(30,31)26-20-6-2-1-3-7-20/h4-5,8-12,17,20,26H,1-3,6-7,13-16,18H2
InChIKeyCBAJYRTZOROGSC-UHFFFAOYSA-N
XLogP3.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide (CID 1005987) is 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide is O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide?
The InChIKey is CBAJYRTZOROGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c25-19-5-4-8-21(17-19)27-13-15-28(16-14-27)24(29)18-32-22-9-11-23(12-10-22)33(30,31)26-20-6-2-1-3-7-20/h4-5,8-12,17,20,26H,1-3,6-7,13-16,18H2.
What are the key properties of 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide?
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide has a molecular weight of 492.04 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 1005987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).