5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide

C13H12ClFN2O3S — CID 107733508

IUPAC5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C13H12ClFN2O3S/c1-17(8-3-2-4-9(18)5-8)21(19,20)13-7-12(16)11(15)6-10(13)14/h2-7,18H,16H2,1H3
InChIKeyWHWMVITYEAFSNK-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.59
Rot. Bonds3

About 5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide

5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 107733508) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
PubChem CID107733508
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC Name5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C13H12ClFN2O3S/c1-17(8-3-2-4-9(18)5-8)21(19,20)13-7-12(16)11(15)6-10(13)14/h2-7,18H,16H2,1H3
InChIKeyWHWMVITYEAFSNK-UHFFFAOYSA-N
XLogP2.59
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide (CID 107733508) is 5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide is CN(c1cccc(O)c1)S(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is WHWMVITYEAFSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-17(8-3-2-4-9(18)5-8)21(19,20)13-7-12(16)11(15)6-10(13)14/h2-7,18H,16H2,1H3.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 330.77 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107733508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).