2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide

C9H11ClFNO3S — CID 3799359

IUPAC2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFNO3S/c1-6(13)5-12-16(14,15)9-3-2-7(11)4-8(9)10/h2-4,6,12-13H,5H2,1H3
InChIKeyORIPZTIJMBEBSV-UHFFFAOYSA-N
MW267.71 g/mol
LogP1.14
Rot. Bonds4

About 2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide

2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide (PubChem CID 3799359) has the molecular formula C9H11ClFNO3S and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
PubChem CID3799359
Molecular FormulaC9H11ClFNO3S
Molecular Weight267.71 g/mol
Exact Mass267.01
IUPAC Name2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
SMILESCC(O)CNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFNO3S/c1-6(13)5-12-16(14,15)9-3-2-7(11)4-8(9)10/h2-4,6,12-13H,5H2,1H3
InChIKeyORIPZTIJMBEBSV-UHFFFAOYSA-N
XLogP1.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide (CID 3799359) is 2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide is CC(O)CNS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
The InChIKey is ORIPZTIJMBEBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO3S/c1-6(13)5-12-16(14,15)9-3-2-7(11)4-8(9)10/h2-4,6,12-13H,5H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide?
2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide has a molecular weight of 267.71 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 3799359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).