5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

C10H8ClF3N2O3S — CID 103834086

IUPAC5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H8ClF3N2O3S/c11-7-2-1-6(4-15)8(3-7)20(18,19)16-5-9(17)10(12,13)14/h1-3,9,16-17H,5H2
InChIKeyPDZBLHLBESKMPT-UHFFFAOYSA-N
MW328.70 g/mol
LogP1.41
Rot. Bonds4

About 5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 103834086) has the molecular formula C10H8ClF3N2O3S and a molecular weight of 328.70 g/mol. Its IUPAC name is 5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID103834086
Molecular FormulaC10H8ClF3N2O3S
Molecular Weight328.70 g/mol
Exact Mass327.99
IUPAC Name5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H8ClF3N2O3S/c11-7-2-1-6(4-15)8(3-7)20(18,19)16-5-9(17)10(12,13)14/h1-3,9,16-17H,5H2
InChIKeyPDZBLHLBESKMPT-UHFFFAOYSA-N
XLogP1.41
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.70
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (CID 103834086) is 5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is N#Cc1ccc(Cl)cc1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is PDZBLHLBESKMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N2O3S/c11-7-2-1-6(4-15)8(3-7)20(18,19)16-5-9(17)10(12,13)14/h1-3,9,16-17H,5H2.
What are the key properties of 5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 328.70 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyano-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 103834086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).