3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide

C9H11ClFNO3S — CID 43501492

IUPAC3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO3S/c10-8-6-7(2-3-9(8)11)16(14,15)12-4-1-5-13/h2-3,6,12-13H,1,4-5H2
InChIKeyMQMGSGLTLWKWCK-UHFFFAOYSA-N
MW267.71 g/mol
LogP1.14
Rot. Bonds5

About 3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide

3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 43501492) has the molecular formula C9H11ClFNO3S and a molecular weight of 267.71 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID43501492
Molecular FormulaC9H11ClFNO3S
Molecular Weight267.71 g/mol
Exact Mass267.01
IUPAC Name3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFNO3S/c10-8-6-7(2-3-9(8)11)16(14,15)12-4-1-5-13/h2-3,6,12-13H,1,4-5H2
InChIKeyMQMGSGLTLWKWCK-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide (CID 43501492) is 3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide is O=S(=O)(NCCCO)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is MQMGSGLTLWKWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO3S/c10-8-6-7(2-3-9(8)11)16(14,15)12-4-1-5-13/h2-3,6,12-13H,1,4-5H2.
What are the key properties of 3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 267.71 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 43501492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).