4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide

C14H13ClFNO3S — CID 70357784

IUPAC4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(O)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFNO3S/c15-11-2-4-12(5-3-11)21(19,20)17-8-7-10-1-6-14(18)13(16)9-10/h1-6,9,17-18H,7-8H2
InChIKeyPYMKSISRXUARBM-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.71
Rot. Bonds5

About 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide

4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide (PubChem CID 70357784) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
PubChem CID70357784
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccc(O)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFNO3S/c15-11-2-4-12(5-3-11)21(19,20)17-8-7-10-1-6-14(18)13(16)9-10/h1-6,9,17-18H,7-8H2
InChIKeyPYMKSISRXUARBM-UHFFFAOYSA-N
XLogP2.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
N-[2-(4-amino-3-iodophenyl)ethyl]-4-chlorobenzenesulfonamide
CID 18504968
N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide
CID 90129375
N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 63322099
5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3-benzodioxole-2-carboxylic acid
CID 14796796
2-[acetyl-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-fluorophenoxy]amino]propanoic acid
CID 88634370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide (CID 70357784) is 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccc(O)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is PYMKSISRXUARBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c15-11-2-4-12(5-3-11)21(19,20)17-8-7-10-1-6-14(18)13(16)9-10/h1-6,9,17-18H,7-8H2.
What are the key properties of 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-fluoro-4-hydroxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 70357784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).