2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide

C16H18ClN3O3S — CID 169368473

IUPAC2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccccc1S(=O)(=O)N(CCO)c1ccccc1
InChIInChI=1S/C16H18ClN3O3S/c17-12-16(18)19-14-8-4-5-9-15(14)24(22,23)20(10-11-21)13-6-2-1-3-7-13/h1-9,21H,10-12H2,(H2,18,19)
InChIKeyDZAMYBJTHBTKRT-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.10
Rot. Bonds7

About 2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide

2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide (PubChem CID 169368473) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide
PubChem CID169368473
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccccc1S(=O)(=O)N(CCO)c1ccccc1
InChIInChI=1S/C16H18ClN3O3S/c17-12-16(18)19-14-8-4-5-9-15(14)24(22,23)20(10-11-21)13-6-2-1-3-7-13/h1-9,21H,10-12H2,(H2,18,19)
InChIKeyDZAMYBJTHBTKRT-UHFFFAOYSA-N
XLogP2.10
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide (CID 169368473) is 2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide is N/C(CCl)=N/c1ccccc1S(=O)(=O)N(CCO)c1ccccc1.
What is the InChIKey of 2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide?
The InChIKey is DZAMYBJTHBTKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c17-12-16(18)19-14-8-4-5-9-15(14)24(22,23)20(10-11-21)13-6-2-1-3-7-13/h1-9,21H,10-12H2,(H2,18,19).
What are the key properties of 2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide?
2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide has a molecular weight of 367.86 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]ethanimidamide is sourced from PubChem (CID 169368473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).