N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide

C16H16ClFN2O3S — CID 113060118

IUPACN-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O3S/c1-12(21)20(13-7-8-16(18)15(17)11-13)10-9-19-24(22,23)14-5-3-2-4-6-14/h2-8,11,19H,9-10H2,1H3
InChIKeyXGNCEZUVXYCSIR-UHFFFAOYSA-N
MW370.83 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide

N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 113060118) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID113060118
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16ClFN2O3S/c1-12(21)20(13-7-8-16(18)15(17)11-13)10-9-19-24(22,23)14-5-3-2-4-6-14/h2-8,11,19H,9-10H2,1H3
InChIKeyXGNCEZUVXYCSIR-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060127
N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
CID 113064685
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(2-ethylphenyl)acetamide
CID 113058359
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
N-(3-chloro-4-fluorophenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113060111
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113060098
N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060265
N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064664

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide (CID 113060118) is N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is XGNCEZUVXYCSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-12(21)20(13-7-8-16(18)15(17)11-13)10-9-19-24(22,23)14-5-3-2-4-6-14/h2-8,11,19H,9-10H2,1H3.
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide?
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 370.83 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 113060118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).