2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide

C14H13ClFNO3S — CID 103223850

IUPAC2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C14H13ClFNO3S/c1-2-17(11-4-3-5-12(18)9-11)21(19,20)14-8-10(16)6-7-13(14)15/h3-9,18H,2H2,1H3
InChIKeyBPOJWAXYSSTECP-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.40
Rot. Bonds4

About 2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide

2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide (PubChem CID 103223850) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
PubChem CID103223850
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
SMILESCCN(c1cccc(O)c1)S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C14H13ClFNO3S/c1-2-17(11-4-3-5-12(18)9-11)21(19,20)14-8-10(16)6-7-13(14)15/h3-9,18H,2H2,1H3
InChIKeyBPOJWAXYSSTECP-UHFFFAOYSA-N
XLogP3.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide (CID 103223850) is 2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide is CCN(c1cccc(O)c1)S(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
The InChIKey is BPOJWAXYSSTECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c1-2-17(11-4-3-5-12(18)9-11)21(19,20)14-8-10(16)6-7-13(14)15/h3-9,18H,2H2,1H3.
What are the key properties of 2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide?
2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 103223850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).