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

C13H12ClFN2O3S — CID 107733489

IUPAC3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C13H12ClFN2O3S/c1-17(9-3-2-4-10(18)7-9)21(19,20)12-6-8(14)5-11(16)13(12)15/h2-7,18H,16H2,1H3
InChIKeyGKAKYCBYWBJXPD-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.59
Rot. Bonds3

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

3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 107733489) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
PubChem CID107733489
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC Name3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(O)c1)S(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C13H12ClFN2O3S/c1-17(9-3-2-4-10(18)7-9)21(19,20)12-6-8(14)5-11(16)13(12)15/h2-7,18H,16H2,1H3
InChIKeyGKAKYCBYWBJXPD-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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Related Compounds

3-amino-5-chloro-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733389
3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934412
5-amino-3-bromo-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733480
5-amino-N-(3-hydroxyphenyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 107733444
4-(aminomethyl)-2-chloro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107734220
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 62002038
5-amino-N-(3-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 107733505
3-amino-N-(3-hydroxyphenyl)-N,2,6-trimethylbenzenesulfonamide
CID 107733521
2-[(3-hydroxyphenyl)-methylsulfamoyl]benzenecarbothioamide
CID 107735369
2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 100508280
3-amino-2,4-difluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733368
3-amino-5-chloro-2-fluoro-N-(3-hydroxybutyl)-N-methylbenzenesulfonamide
CID 103052137

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide (CID 107733489) is 3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide is CN(c1cccc(O)c1)S(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is GKAKYCBYWBJXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-17(9-3-2-4-10(18)7-9)21(19,20)12-6-8(14)5-11(16)13(12)15/h2-7,18H,16H2,1H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide?
3-amino-5-chloro-2-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 3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 107733489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).