2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide

C18H20Cl2N2O4S — CID 2283551

IUPAC2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCO
InChIInChI=1S/C18H20Cl2N2O4S/c19-15-6-8-16(9-7-15)27(25,26)22(13-18(24)21-10-3-11-23)12-14-4-1-2-5-17(14)20/h1-2,4-9,23H,3,10-13H2,(H,21,24)
InChIKeyJVJXOFBGKHSLQU-UHFFFAOYSA-N
MW431.34 g/mol
LogP2.68
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide

2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide (PubChem CID 2283551) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
PubChem CID2283551
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCO
InChIInChI=1S/C18H20Cl2N2O4S/c19-15-6-8-16(9-7-15)27(25,26)22(13-18(24)21-10-3-11-23)12-14-4-1-2-5-17(14)20/h1-2,4-9,23H,3,10-13H2,(H,21,24)
InChIKeyJVJXOFBGKHSLQU-UHFFFAOYSA-N
XLogP2.68
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 4005841
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3266857
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 126209307
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4239320
N-[(4-chlorophenyl)methyl]-2-[(2-chlorophenyl)methyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 71904798
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 126204931
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 1315881
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 1284016
2-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2-hydroxyethyl)acetamide
CID 2300342
4-[(Z)-[[2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6139507
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28544586
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 6041566

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide (CID 2283551) is 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide is O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCO.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide?
The InChIKey is JVJXOFBGKHSLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c19-15-6-8-16(9-7-15)27(25,26)22(13-18(24)21-10-3-11-23)12-14-4-1-2-5-17(14)20/h1-2,4-9,23H,3,10-13H2,(H,21,24).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide?
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide has a molecular weight of 431.34 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 2283551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).