2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide

C14H20Cl2N4O3S — CID 1300280

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H20Cl2N4O3S/c1-18-5-7-20(8-6-18)17-14(21)10-19(2)24(22,23)13-9-11(15)3-4-12(13)16/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyDMASGBIROBTPLB-UHFFFAOYSA-N
MW395.31 g/mol
LogP0.89
Rot. Bonds5

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide (PubChem CID 1300280) has the molecular formula C14H20Cl2N4O3S and a molecular weight of 395.31 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide
PubChem CID1300280
Molecular FormulaC14H20Cl2N4O3S
Molecular Weight395.31 g/mol
Exact Mass394.06
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H20Cl2N4O3S/c1-18-5-7-20(8-6-18)17-14(21)10-19(2)24(22,23)13-9-11(15)3-4-12(13)16/h3-4,9H,5-8,10H2,1-2H3,(H,17,21)
InChIKeyDMASGBIROBTPLB-UHFFFAOYSA-N
XLogP0.89
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide (CID 1300280) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide is CN1CCN(NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is DMASGBIROBTPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N4O3S/c1-18-5-7-20(8-6-18)17-14(21)10-19(2)24(22,23)13-9-11(15)3-4-12(13)16/h3-4,9H,5-8,10H2,1-2H3,(H,17,21).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 395.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 1300280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).