2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide

C17H18Cl2N2O3S — CID 5069609

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(13-6-4-3-5-7-13)20-17(22)11-21(2)25(23,24)16-10-14(18)8-9-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyQMJBHTZSNQZZPM-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.49
Rot. Bonds6

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide (PubChem CID 5069609) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide
PubChem CID5069609
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12(13-6-4-3-5-7-13)20-17(22)11-21(2)25(23,24)16-10-14(18)8-9-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyQMJBHTZSNQZZPM-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide (CID 5069609) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(C)S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is QMJBHTZSNQZZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-12(13-6-4-3-5-7-13)20-17(22)11-21(2)25(23,24)16-10-14(18)8-9-15(16)19/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 401.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 5069609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).