N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

C17H17ClN2O3S — CID 2095389

IUPACN-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H17ClN2O3S/c1-20(13-17(21)19-16-9-5-8-15(18)12-16)24(22,23)11-10-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,19,21)/b11-10+
InChIKeyNQQJKQYNYCHKIH-ZHACJKMWSA-N
MW364.85 g/mol
LogP3.21
Rot. Bonds6

About N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide

N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (PubChem CID 2095389) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
PubChem CID2095389
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC NameN-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C17H17ClN2O3S/c1-20(13-17(21)19-16-9-5-8-15(18)12-16)24(22,23)11-10-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,19,21)/b11-10+
InChIKeyNQQJKQYNYCHKIH-ZHACJKMWSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide (CID 2095389) is N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is CN(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
The InChIKey is NQQJKQYNYCHKIH-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-20(13-17(21)19-16-9-5-8-15(18)12-16)24(22,23)11-10-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,19,21)/b11-10+.
What are the key properties of N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide?
N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide has a molecular weight of 364.85 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide is sourced from PubChem (CID 2095389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).