N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide

C12H7ClF3NO3S — CID 81422193

IUPACN-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H7ClF3NO3S/c13-6-1-2-10(11(18)3-6)17-21(19,20)12-8(15)4-7(14)5-9(12)16/h1-5,17-18H
InChIKeySIYYGRJFBSAEOL-UHFFFAOYSA-N
MW337.71 g/mol
LogP3.26
Rot. Bonds3

About N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide

N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide (PubChem CID 81422193) has the molecular formula C12H7ClF3NO3S and a molecular weight of 337.71 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide
PubChem CID81422193
Molecular FormulaC12H7ClF3NO3S
Molecular Weight337.71 g/mol
Exact Mass336.98
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H7ClF3NO3S/c13-6-1-2-10(11(18)3-6)17-21(19,20)12-8(15)4-7(14)5-9(12)16/h1-5,17-18H
InChIKeySIYYGRJFBSAEOL-UHFFFAOYSA-N
XLogP3.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-hydroxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300750
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
N-(5-chloro-2-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 81241185
2,5-dichloro-N-(4-chloro-2-hydroxyphenyl)thiophene-3-sulfonamide
CID 81433543
N-(5-chloro-2-hydroxyphenyl)-2,4-difluorobenzenesulfonamide
CID 43244390
N-(4-chloro-2-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 81433189
N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide
CID 60971814
N-(4-chloro-2-hydroxyphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842049
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 63677626
N-(4-chloro-2-hydroxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 81433105
2-chloro-N-(4-chloro-2-hydroxyphenyl)-5-cyanobenzenesulfonamide
CID 81422590

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide (CID 81422193) is N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1O)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is SIYYGRJFBSAEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3NO3S/c13-6-1-2-10(11(18)3-6)17-21(19,20)12-8(15)4-7(14)5-9(12)16/h1-5,17-18H.
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide?
N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 337.71 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 81422193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).