2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide

C14H12ClF2NO3S — CID 97325974

IUPAC2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](O)c1c(F)cccc1F)c1ccccc1Cl
InChIInChI=1S/C14H12ClF2NO3S/c15-9-4-1-2-7-13(9)22(20,21)18-8-12(19)14-10(16)5-3-6-11(14)17/h1-7,12,18-19H,8H2/t12-/m0/s1
InChIKeyWKACFKFCZJRIFS-LBPRGKRZSA-N
MW347.77 g/mol
LogP2.63
Rot. Bonds5

About 2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide

2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide (PubChem CID 97325974) has the molecular formula C14H12ClF2NO3S and a molecular weight of 347.77 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide
PubChem CID97325974
Molecular FormulaC14H12ClF2NO3S
Molecular Weight347.77 g/mol
Exact Mass347.02
IUPAC Name2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H](O)c1c(F)cccc1F)c1ccccc1Cl
InChIInChI=1S/C14H12ClF2NO3S/c15-9-4-1-2-7-13(9)22(20,21)18-8-12(19)14-10(16)5-3-6-11(14)17/h1-7,12,18-19H,8H2/t12-/m0/s1
InChIKeyWKACFKFCZJRIFS-LBPRGKRZSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[(2-chlorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 104935868
1,3-difluoro-2-[1-hydroxy-2-(sulfamoylamino)ethyl]benzene
CID 111450119
2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 110663435
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide
CID 177376824
N-[(2R)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 171714588
1-chloro-3-fluoro-2-[1-hydroxy-3-(sulfamoylamino)propyl]benzene
CID 72703552
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90496558
2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
CID 97416938
4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 166326529

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide (CID 97325974) is 2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide is O=S(=O)(NC[C@H](O)c1c(F)cccc1F)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide?
The InChIKey is WKACFKFCZJRIFS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12ClF2NO3S/c15-9-4-1-2-7-13(9)22(20,21)18-8-12(19)14-10(16)5-3-6-11(14)17/h1-7,12,18-19H,8H2/t12-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide?
2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide has a molecular weight of 347.77 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-(2,6-difluorophenyl)-2-hydroxyethyl]benzenesulfonamide is sourced from PubChem (CID 97325974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).