N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide

C15H14Cl2N2O5S — CID 25036035

IUPACN-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H14Cl2N2O5S/c1-8(20)18-10-3-4-13(24-2)12(7-10)19-25(22,23)14-6-9(16)5-11(17)15(14)21/h3-7,19,21H,1-2H3,(H,18,20)
InChIKeyYMASSFUVXJXVPM-UHFFFAOYSA-N
MW405.26 g/mol
LogP3.47
Rot. Bonds5

About N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide

N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide (PubChem CID 25036035) has the molecular formula C15H14Cl2N2O5S and a molecular weight of 405.26 g/mol. Its IUPAC name is N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
PubChem CID25036035
Molecular FormulaC15H14Cl2N2O5S
Molecular Weight405.26 g/mol
Exact Mass404.00
IUPAC NameN-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C15H14Cl2N2O5S/c1-8(20)18-10-3-4-13(24-2)12(7-10)19-25(22,23)14-6-9(16)5-11(17)15(14)21/h3-7,19,21H,1-2H3,(H,18,20)
InChIKeyYMASSFUVXJXVPM-UHFFFAOYSA-N
XLogP3.47
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
N-[3-[(2-cyanophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 9330046
3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
CID 146545964
N-[4-methoxy-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998731
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide
CID 18626055
N-[4-methoxy-3-[(3-sulfamoylphenyl)sulfonylamino]phenyl]acetamide
CID 30286465
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
N-(5-acetamido-2-methoxyphenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 8578537

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide (CID 25036035) is N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
The InChIKey is YMASSFUVXJXVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O5S/c1-8(20)18-10-3-4-13(24-2)12(7-10)19-25(22,23)14-6-9(16)5-11(17)15(14)21/h3-7,19,21H,1-2H3,(H,18,20).
What are the key properties of N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide?
N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide has a molecular weight of 405.26 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 25036035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).