2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide

C9H10Cl3NO3S — CID 25252490

IUPAC2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3NO3S/c1-5(14)4-13-17(15,16)9-3-7(11)6(10)2-8(9)12/h2-3,5,13-14H,4H2,1H3
InChIKeyFANUFVJFADXNSO-UHFFFAOYSA-N
MW318.61 g/mol
LogP2.31
Rot. Bonds4

About 2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide

2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide (PubChem CID 25252490) has the molecular formula C9H10Cl3NO3S and a molecular weight of 318.61 g/mol. Its IUPAC name is 2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
PubChem CID25252490
Molecular FormulaC9H10Cl3NO3S
Molecular Weight318.61 g/mol
Exact Mass316.94
IUPAC Name2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl3NO3S/c1-5(14)4-13-17(15,16)9-3-7(11)6(10)2-8(9)12/h2-3,5,13-14H,4H2,1H3
InChIKeyFANUFVJFADXNSO-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.61
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-[(2R)-2-hydroxypropyl]-4-methylbenzenesulfonamide
CID 107213312
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955
6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502382
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
N-(2-hydroxypropyl)-2,4,5-trimethylbenzenesulfonamide
CID 43845575
2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2,6-dichloro-3-(2-hydroxypropylsulfamoyl)benzoic acid
CID 43499058
N-(2-hydroxypropyl)-2,3,4,5-tetramethylbenzenesulfonamide
CID 50876433
2,4-dichloro-5-(2,3-dihydroxypropylsulfamoyl)benzoic acid
CID 66170591
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide (CID 25252490) is 2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide is CC(O)CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide?
The InChIKey is FANUFVJFADXNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl3NO3S/c1-5(14)4-13-17(15,16)9-3-7(11)6(10)2-8(9)12/h2-3,5,13-14H,4H2,1H3.
What are the key properties of 2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide?
2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide has a molecular weight of 318.61 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-N-(2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 25252490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).