3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide

C15H15ClFNO3S — CID 71782280

IUPAC3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO3S/c16-13-10-12(6-7-14(13)17)22(20,21)18-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15,18-19H,8-9H2
InChIKeyZJOUMNBJGSYCPO-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.88
Rot. Bonds6

About 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide

3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide (PubChem CID 71782280) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide
PubChem CID71782280
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC Name3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCC(O)c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFNO3S/c16-13-10-12(6-7-14(13)17)22(20,21)18-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15,18-19H,8-9H2
InChIKeyZJOUMNBJGSYCPO-UHFFFAOYSA-N
XLogP2.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)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

5-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzenesulfonamide
CID 53240243
3-chloro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-methylbenzenesulfonamide
CID 56765483
5-chloro-2-fluoro-N-(1-hydroxy-3-phenylpropan-2-yl)benzenesulfonamide
CID 45479954
5-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 45479962
3-chloro-2-fluoro-N-[(1R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 46902198
3-chloro-2-fluoro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 53240237
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 56764231
(S)-3-(4-fluoro-2-tolylsulfonylamino)-1-phenyl-1-propanol
CID 97038599
(S)-1-phenyl-3-[m-(trifluoromethyl)phenylsulfonylamino]-1-propanol
CID 97038632
[(R)-2-(o-chlorophenyl)-2-methoxyethyl](o-fluorophenylsulfonyl)amine
CID 99698240
3-chloro-4-fluoro-N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)benzenesulfonamide
CID 56765485
N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 2812773

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide (CID 71782280) is 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide is O=S(=O)(NCCC(O)c1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide?
The InChIKey is ZJOUMNBJGSYCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c16-13-10-12(6-7-14(13)17)22(20,21)18-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15,18-19H,8-9H2.
What are the key properties of 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide?
3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide has a molecular weight of 343.81 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-hydroxy-3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 71782280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).