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

C16H24ClN3O3S — CID 1252509

IUPAC4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCN1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-3-18-9-11-19(12-10-18)16(21)13-20(4-2)24(22,23)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyYEPYVAFMRTYLFQ-UHFFFAOYSA-N
MW373.91 g/mol
LogP1.51
Rot. Bonds6

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

4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 1252509) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID1252509
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCN1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-3-18-9-11-19(12-10-18)16(21)13-20(4-2)24(22,23)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyYEPYVAFMRTYLFQ-UHFFFAOYSA-N
XLogP1.51
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 51.51
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-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 1252509) is 4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is CCN1CCN(C(=O)CN(CC)S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is YEPYVAFMRTYLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-3-18-9-11-19(12-10-18)16(21)13-20(4-2)24(22,23)15-7-5-14(17)6-8-15/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
4-chloro-N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 373.91 g/mol, XLogP of 1.51, 6 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-ethylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 1252509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).