2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide

C10H11ClF3NO3S — CID 43501449

IUPAC2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCCO)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3NO3S/c11-8-3-2-7(10(12,13)14)6-9(8)19(17,18)15-4-1-5-16/h2-3,6,15-16H,1,4-5H2
InChIKeySSUBVGALJBBGTJ-UHFFFAOYSA-N
MW317.72 g/mol
LogP2.02
Rot. Bonds5

About 2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 43501449) has the molecular formula C10H11ClF3NO3S and a molecular weight of 317.72 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide
PubChem CID43501449
Molecular FormulaC10H11ClF3NO3S
Molecular Weight317.72 g/mol
Exact Mass317.01
IUPAC Name2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCCO)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H11ClF3NO3S/c11-8-3-2-7(10(12,13)14)6-9(8)19(17,18)15-4-1-5-16/h2-3,6,15-16H,1,4-5H2
InChIKeySSUBVGALJBBGTJ-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 52.02
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 2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide (CID 43501449) is 2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCCO)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SSUBVGALJBBGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO3S/c11-8-3-2-7(10(12,13)14)6-9(8)19(17,18)15-4-1-5-16/h2-3,6,15-16H,1,4-5H2.
What are the key properties of 2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 317.72 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxypropyl)-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 43501449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).