N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide

C21H27ClN4O3S — CID 4869971

IUPACN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C21H27ClN4O3S/c1-3-26(17-7-5-4-6-8-17)30(28,29)18-9-10-19(22)20(15-18)23-21(27)16-25-13-11-24(2)12-14-25/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,27)
InChIKeyUGFGXHXYBDXYAP-UHFFFAOYSA-N
MW450.99 g/mol
LogP2.74
Rot. Bonds7

About N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 4869971) has the molecular formula C21H27ClN4O3S and a molecular weight of 450.99 g/mol. Its IUPAC name is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID4869971
Molecular FormulaC21H27ClN4O3S
Molecular Weight450.99 g/mol
Exact Mass450.15
IUPAC NameN-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(C)CC2)c1
InChIInChI=1S/C21H27ClN4O3S/c1-3-26(17-7-5-4-6-8-17)30(28,29)18-9-10-19(22)20(15-18)23-21(27)16-25-13-11-24(2)12-14-25/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,27)
InChIKeyUGFGXHXYBDXYAP-UHFFFAOYSA-N
XLogP2.74
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 4869971) is N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCN(C)CC2)c1.
What is the InChIKey of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is UGFGXHXYBDXYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O3S/c1-3-26(17-7-5-4-6-8-17)30(28,29)18-9-10-19(22)20(15-18)23-21(27)16-25-13-11-24(2)12-14-25/h4-10,15H,3,11-14,16H2,1-2H3,(H,23,27).
What are the key properties of N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 450.99 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4869971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).