N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide

C12H8ClF2NO3S — CID 64788086

IUPACN-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(O)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H8ClF2NO3S/c13-9-3-1-7(5-12(9)17)16-20(18,19)8-2-4-10(14)11(15)6-8/h1-6,16-17H
InChIKeyGCGVEPZBCCKGCU-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.12
Rot. Bonds3

About N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide

N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 64788086) has the molecular formula C12H8ClF2NO3S and a molecular weight of 319.72 g/mol. Its IUPAC name is N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
PubChem CID64788086
Molecular FormulaC12H8ClF2NO3S
Molecular Weight319.72 g/mol
Exact Mass318.99
IUPAC NameN-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(O)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H8ClF2NO3S/c13-9-3-1-7(5-12(9)17)16-20(18,19)8-2-4-10(14)11(15)6-8/h1-6,16-17H
InChIKeyGCGVEPZBCCKGCU-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
3-chloro-N-(4-chloro-3-hydroxyphenyl)benzenesulfonamide
CID 64788491
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
N-(4-amino-3-hydroxyphenyl)-4-chlorobenzenesulfonamide
CID 174644822
2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629196
5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide
CID 39331681
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide (CID 64788086) is N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(O)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is GCGVEPZBCCKGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO3S/c13-9-3-1-7(5-12(9)17)16-20(18,19)8-2-4-10(14)11(15)6-8/h1-6,16-17H.
What are the key properties of N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide?
N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 319.72 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-hydroxyphenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 64788086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).