2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide

C15H12Cl4N2O4S — CID 15526171

IUPAC2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide
SMILESNC(=O)c1cc(C(NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)ccc1O
InChIInChI=1S/C15H12Cl4N2O4S/c16-9-2-4-10(5-3-9)26(24,25)21-13(15(17,18)19)8-1-6-12(22)11(7-8)14(20)23/h1-7,13,21-22H,(H2,20,23)
InChIKeyFKNNFFNBSFNFSP-UHFFFAOYSA-N
MW458.15 g/mol
LogP3.53
Rot. Bonds5

About 2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide

2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide (PubChem CID 15526171) has the molecular formula C15H12Cl4N2O4S and a molecular weight of 458.15 g/mol. Its IUPAC name is 2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide
PubChem CID15526171
Molecular FormulaC15H12Cl4N2O4S
Molecular Weight458.15 g/mol
Exact Mass455.93
IUPAC Name2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide
SMILESNC(=O)c1cc(C(NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)ccc1O
InChIInChI=1S/C15H12Cl4N2O4S/c16-9-2-4-10(5-3-9)26(24,25)21-13(15(17,18)19)8-1-6-12(22)11(7-8)14(20)23/h1-7,13,21-22H,(H2,20,23)
InChIKeyFKNNFFNBSFNFSP-UHFFFAOYSA-N
XLogP3.53
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.15
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzenesulfonamide
CID 3745238
N-[(1S)-2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 1252396
N'-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]ethanedithioamide
CID 102055098
2-[(4-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 16604920
N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide
CID 11760285
5-[[4-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406207
N-[(1S)-2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzenesulfonamide
CID 1037783
5-[[3-(benzenesulfonamido)phenyl]sulfamoyl]-2-hydroxybenzamide
CID 130406327
5-[(1R)-1-aminoethyl]-2-hydroxybenzamide
CID 55255475
4-chloro-N-[(1S)-1-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 66978868
4-chloro-N-[(1S)-2-hydrazinyl-2-oxo-1-phenylethyl]benzenesulfonamide
CID 70638313
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide (CID 15526171) is 2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide is NC(=O)c1cc(C(NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide?
The InChIKey is FKNNFFNBSFNFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4N2O4S/c16-9-2-4-10(5-3-9)26(24,25)21-13(15(17,18)19)8-1-6-12(22)11(7-8)14(20)23/h1-7,13,21-22H,(H2,20,23).
What are the key properties of 2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide?
2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide has a molecular weight of 458.15 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2,2,2-trichloro-1-[(4-chlorophenyl)sulfonylamino]ethyl]benzamide is sourced from PubChem (CID 15526171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).