N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide

C16H15Cl3N2O4S — CID 112842593

IUPACN-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C16H15Cl3N2O4S/c17-11-8-12(18)15(22)13(14(11)19)16(23)20-6-7-26(24,25)21-9-10-4-2-1-3-5-10/h1-5,8,21-22H,6-7,9H2,(H,20,23)
InChIKeyHKVMBAGKHCJWQE-UHFFFAOYSA-N
MW437.73 g/mol
LogP3.20
Rot. Bonds7

About N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide

N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide (PubChem CID 112842593) has the molecular formula C16H15Cl3N2O4S and a molecular weight of 437.73 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide
PubChem CID112842593
Molecular FormulaC16H15Cl3N2O4S
Molecular Weight437.73 g/mol
Exact Mass435.98
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1c(O)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C16H15Cl3N2O4S/c17-11-8-12(18)15(22)13(14(11)19)16(23)20-6-7-26(24,25)21-9-10-4-2-1-3-5-10/h1-5,8,21-22H,6-7,9H2,(H,20,23)
InChIKeyHKVMBAGKHCJWQE-UHFFFAOYSA-N
XLogP3.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.73
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
CID 55795602
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
N-[2-(benzylsulfamoyl)ethyl]-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 55795473
(4-benzylpiperazin-1-yl)-(2,3,5-trichloro-6-hydroxyphenyl)methanone
CID 112813669
N-[2-(benzylsulfamoyl)ethyl]-2-fluoro-4-methoxybenzamide
CID 55795889
N-[2-(benzylsulfamoyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55726450
N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 87003942
4-[2-(benzylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672900
2,3,5-trichloro-N-[[4-(diethylcarbamoyl)phenyl]methyl]-6-hydroxybenzamide
CID 112821498
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
(2S)-2-amino-N-[2-(benzylsulfamoyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119723677

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide (CID 112842593) is N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide is O=C(NCCS(=O)(=O)NCc1ccccc1)c1c(O)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide?
The InChIKey is HKVMBAGKHCJWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O4S/c17-11-8-12(18)15(22)13(14(11)19)16(23)20-6-7-26(24,25)21-9-10-4-2-1-3-5-10/h1-5,8,21-22H,6-7,9H2,(H,20,23).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide?
N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide has a molecular weight of 437.73 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-2,3,5-trichloro-6-hydroxybenzamide is sourced from PubChem (CID 112842593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).