4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

C15H22ClN3O3S — CID 2222041

IUPAC4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3S/c1-3-19(12-15(20)18-10-8-17(2)9-11-18)23(21,22)14-6-4-13(16)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyGELJTSWDEGFLTL-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.12
Rot. Bonds5

About 4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide

4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 2222041) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID2222041
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H22ClN3O3S/c1-3-19(12-15(20)18-10-8-17(2)9-11-18)23(21,22)14-6-4-13(16)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyGELJTSWDEGFLTL-UHFFFAOYSA-N
XLogP1.12
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 2222041) is 4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is CCN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is GELJTSWDEGFLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-3-19(12-15(20)18-10-8-17(2)9-11-18)23(21,22)14-6-4-13(16)5-7-14/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 359.88 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 2222041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).