2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide

C16H16ClFN2O3S — CID 2243237

IUPAC2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C16H16ClFN2O3S/c17-14-10-13(6-7-15(14)18)24(22,23)20-11-16(21)19-9-8-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,21)
InChIKeyMTHGIVARXAMDRV-UHFFFAOYSA-N
MW370.83 g/mol
LogP2.12
Rot. Bonds7

About 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide

2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide (PubChem CID 2243237) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
PubChem CID2243237
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC Name2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C16H16ClFN2O3S/c17-14-10-13(6-7-15(14)18)24(22,23)20-11-16(21)19-9-8-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,21)
InChIKeyMTHGIVARXAMDRV-UHFFFAOYSA-N
XLogP2.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134604213
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CID 1346695
N-(4-chlorobenzyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanamide
CID 2947130
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 4791283
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclohexylacetamide
CID 8145904
N~2~-benzyl-N~1~-[2-(1-cyclohexen-1-yl)ethyl]-N~2~-[(4-fluorophenyl)sulfonyl]glycinamide
CID 2301453
6-(2-Fluorobenzyl)-4-(4-chlorophenylsulfonyl)-1,4-diazepane-2,5-dione
CID 44439959
4-chloro-N-[(4-fluorophenyl)methyl]-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444049
4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(3-phenylpropyl)benzenesulfonamide
CID 44444087
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-2,5-dichlorobenzenesulfonamide
CID 45269122
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)-4-chlorobenzenesulfonamide
CID 45270800
N-(2-chlorobenzyl)-1-((4-fluorophenyl)sulfonyl)piperidine-4-carboxamide
CID 1209529

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide (CID 2243237) is 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide is O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCCc1ccccc1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is MTHGIVARXAMDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c17-14-10-13(6-7-15(14)18)24(22,23)20-11-16(21)19-9-8-12-4-2-1-3-5-12/h1-7,10,20H,8-9,11H2,(H,19,21).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide?
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 370.83 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2243237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).