N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide

C16H16ClFN2O4S — CID 113092913

IUPACN-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)ccc1N(C)C(C)=O
InChIInChI=1S/C16H16ClFN2O4S/c1-10(21)20(2)14-6-5-12(18)9-13(14)19-25(22,23)16-8-11(17)4-7-15(16)24-3/h4-9,19H,1-3H3
InChIKeyYCAMOJLJQFPIKJ-UHFFFAOYSA-N
MW386.83 g/mol
LogP3.27
Rot. Bonds5

About N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide

N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide (PubChem CID 113092913) has the molecular formula C16H16ClFN2O4S and a molecular weight of 386.83 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
PubChem CID113092913
Molecular FormulaC16H16ClFN2O4S
Molecular Weight386.83 g/mol
Exact Mass386.05
IUPAC NameN-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)ccc1N(C)C(C)=O
InChIInChI=1S/C16H16ClFN2O4S/c1-10(21)20(2)14-6-5-12(18)9-13(14)19-25(22,23)16-8-11(17)4-7-15(16)24-3/h4-9,19H,1-3H3
InChIKeyYCAMOJLJQFPIKJ-UHFFFAOYSA-N
XLogP3.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide
CID 113092578
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide
CID 113092899
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
N-(4-fluoro-2-methoxyphenyl)-N-methylacetamide
CID 134094138
2-[3-[(2,5-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060124
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 28549552
N-[2-(dimethylamino)-5-fluorophenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113092556
N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093841

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide?
The IUPAC name of N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide (CID 113092913) is N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide?
The canonical SMILES for N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)ccc1N(C)C(C)=O.
What is the InChIKey of N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide?
The InChIKey is YCAMOJLJQFPIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O4S/c1-10(21)20(2)14-6-5-12(18)9-13(14)19-25(22,23)16-8-11(17)4-7-15(16)24-3/h4-9,19H,1-3H3.
What are the key properties of N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide?
N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide has a molecular weight of 386.83 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-fluorophenyl]-N-methylacetamide is sourced from PubChem (CID 113092913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).