N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide

C14H13ClFNO3S — CID 97248769

IUPACN-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13ClFNO3S/c15-12-7-6-10(8-13(12)16)14(18)9-17-21(19,20)11-4-2-1-3-5-11/h1-8,14,17-18H,9H2/t14-/m1/s1
InChIKeyLHUDWSIXLVCAMQ-CQSZACIVSA-N
MW329.78 g/mol
LogP2.49
Rot. Bonds5

About N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide

N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide (PubChem CID 97248769) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide
PubChem CID97248769
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC NameN-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C14H13ClFNO3S/c15-12-7-6-10(8-13(12)16)14(18)9-17-21(19,20)11-4-2-1-3-5-11/h1-8,14,17-18H,9H2/t14-/m1/s1
InChIKeyLHUDWSIXLVCAMQ-CQSZACIVSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
3-chloro-N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-4-fluorobenzenesulfonamide
CID 124759644
3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663554
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
3-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-hydroxyethyl]phenyl]propanoic acid
CID 14536999
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
4-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663555
3-chloro-4-fluoro-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]benzenesulfonamide
CID 71781618
2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97325974

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide (CID 97248769) is N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide is O=S(=O)(NC[C@@H](O)c1ccc(Cl)c(F)c1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The InChIKey is LHUDWSIXLVCAMQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c15-12-7-6-10(8-13(12)16)14(18)9-17-21(19,20)11-4-2-1-3-5-11/h1-8,14,17-18H,9H2/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide?
N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide is sourced from PubChem (CID 97248769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).