2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide

C9H10Cl2FNO3S — CID 103088486

IUPAC2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCO)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C9H10Cl2FNO3S/c10-6-2-3-7(8(11)9(6)12)17(15,16)13-4-1-5-14/h2-3,13-14H,1,4-5H2
InChIKeyXKQZTRMZOMIOPZ-UHFFFAOYSA-N
MW302.15 g/mol
LogP1.79
Rot. Bonds5

About 2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide

2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 103088486) has the molecular formula C9H10Cl2FNO3S and a molecular weight of 302.15 g/mol. Its IUPAC name is 2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID103088486
Molecular FormulaC9H10Cl2FNO3S
Molecular Weight302.15 g/mol
Exact Mass300.97
IUPAC Name2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCO)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C9H10Cl2FNO3S/c10-6-2-3-7(8(11)9(6)12)17(15,16)13-4-1-5-14/h2-3,13-14H,1,4-5H2
InChIKeyXKQZTRMZOMIOPZ-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120713472
4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]butanethioamide
CID 103088149
3,4-dichloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 39847484
(2S)-4-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-2-hydroxybutanoic acid
CID 103215117
2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide
CID 103088944
2,6-dichloro-3-(5-hydroxypentylsulfamoyl)benzoic acid
CID 107316637
3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502012
2,3,4-trifluoro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107319503
4-amino-2-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316375
2,4-dichloro-3-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzenesulfonamide
CID 103088583
(2S)-2-[(2,4-dichloro-3-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 103087572
2,4-dichloro-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103088575

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide (CID 103088486) is 2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide is O=S(=O)(NCCCO)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of 2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is XKQZTRMZOMIOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FNO3S/c10-6-2-3-7(8(11)9(6)12)17(15,16)13-4-1-5-14/h2-3,13-14H,1,4-5H2.
What are the key properties of 2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 302.15 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-fluoro-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 103088486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).