4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

C15H22ClN3O3S — CID 2214119

IUPAC4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-3-18-8-10-19(11-9-18)15(20)12-17(2)23(21,22)14-6-4-13(16)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeySQLIJVDXZQMILH-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.12
Rot. Bonds5

About 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide

4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 2214119) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID2214119
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-3-18-8-10-19(11-9-18)15(20)12-17(2)23(21,22)14-6-4-13(16)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeySQLIJVDXZQMILH-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-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide (CID 2214119) is 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is SQLIJVDXZQMILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-3-18-8-10-19(11-9-18)15(20)12-17(2)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-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide?
4-chloro-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide 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-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 2214119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).