3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide

C15H14Cl3NO4S — CID 166396288

IUPAC3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NC(CCO)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1O
InChIInChI=1S/C15H14Cl3NO4S/c16-10-6-9(7-11(17)8-10)13(4-5-20)19-24(22,23)14-3-1-2-12(18)15(14)21/h1-3,6-8,13,19-21H,4-5H2
InChIKeyMXEBQTOJCNYOMJ-UHFFFAOYSA-N
MW410.71 g/mol
LogP3.75
Rot. Bonds6

About 3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide

3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide (PubChem CID 166396288) has the molecular formula C15H14Cl3NO4S and a molecular weight of 410.71 g/mol. Its IUPAC name is 3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide
PubChem CID166396288
Molecular FormulaC15H14Cl3NO4S
Molecular Weight410.71 g/mol
Exact Mass408.97
IUPAC Name3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide
SMILESO=S(=O)(NC(CCO)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1O
InChIInChI=1S/C15H14Cl3NO4S/c16-10-6-9(7-11(17)8-10)13(4-5-20)19-24(22,23)14-3-1-2-12(18)15(14)21/h1-3,6-8,13,19-21H,4-5H2
InChIKeyMXEBQTOJCNYOMJ-UHFFFAOYSA-N
XLogP3.75
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.71
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
methyl 5-[[1-(3,4-dichlorophenyl)-3-hydroxypropyl]sulfamoyl]-4-methoxythiophene-2-carboxylate
CID 166357642
3-chloro-2-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837095
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide
CID 126823450
2,5-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837069
2,3-dichloro-N-(4-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 113318363
3-chloro-2-methyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121018967
methyl 2-[(3-chloro-2-hydroxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoate
CID 167765633
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methylbenzenesulfonamide
CID 103825688

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide (CID 166396288) is 3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide is O=S(=O)(NC(CCO)c1cc(Cl)cc(Cl)c1)c1cccc(Cl)c1O.
What is the InChIKey of 3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide?
The InChIKey is MXEBQTOJCNYOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO4S/c16-10-6-9(7-11(17)8-10)13(4-5-20)19-24(22,23)14-3-1-2-12(18)15(14)21/h1-3,6-8,13,19-21H,4-5H2.
What are the key properties of 3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide?
3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide has a molecular weight of 410.71 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3,5-dichlorophenyl)-3-hydroxypropyl]-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 166396288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).