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

C17H18ClFN2O3S — CID 113060127

IUPACN-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccc(C)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-12-4-3-5-15(10-12)25(23,24)20-8-9-21(13(2)22)14-6-7-17(19)16(18)11-14/h3-7,10-11,20H,8-9H2,1-2H3
InChIKeyCWLRHKIXTXJUDG-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.12
Rot. Bonds6

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

N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113060127) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113060127
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1cccc(C)c1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C17H18ClFN2O3S/c1-12-4-3-5-15(10-12)25(23,24)20-8-9-21(13(2)22)14-6-7-17(19)16(18)11-14/h3-7,10-11,20H,8-9H2,1-2H3
InChIKeyCWLRHKIXTXJUDG-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118
N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054618
N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064672
N-[(4-methylphenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054409
N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064567
N-(2,6-difluorophenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113064563
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113172485
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
CID 113064685
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113055801
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide (CID 113060127) is N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1cccc(C)c1)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is CWLRHKIXTXJUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-12-4-3-5-15(10-12)25(23,24)20-8-9-21(13(2)22)14-6-7-17(19)16(18)11-14/h3-7,10-11,20H,8-9H2,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide?
N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 384.86 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113060127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).