N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide

C15H15F3N2O3S — CID 70331395

IUPACN-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1
InChIInChI=1S/C15H15F3N2O3S/c1-20(2)12-6-4-11(5-7-12)19-24(22,23)14-9-10(15(16,17)18)3-8-13(14)21/h3-9,19,21H,1-2H3
InChIKeyDCGAHPBJJOJGRR-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.28
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide

N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 70331395) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
PubChem CID70331395
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC NameN-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1
InChIInChI=1S/C15H15F3N2O3S/c1-20(2)12-6-4-11(5-7-12)19-24(22,23)14-9-10(15(16,17)18)3-8-13(14)21/h3-9,19,21H,1-2H3
InChIKeyDCGAHPBJJOJGRR-UHFFFAOYSA-N
XLogP3.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-2,3-dihydroxybenzenesulfonamide
CID 143109369
2,4,5-trichloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 22774991
4-bromo-N-[4-(dimethylamino)phenyl]-2-fluorobenzenesulfonamide
CID 116528159
(2S)-2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonylamino]-3-methylbutanoic acid
CID 122069110
5-[[4-(dimethylamino)phenyl]sulfamoyl]-2,3,4-trifluorobenzoic acid
CID 22465630
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
4-[hydroxy(methyl)amino]-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 162550003
N-[4-(dimethylamino)phenyl]sulfamoyl chloride
CID 84760640
2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 60986470
2-bromo-N-[4-(dimethylamino)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 78809657
2-[[2-hydroxy-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]acetic acid
CID 122071240
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide (CID 70331395) is N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide is CN(C)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DCGAHPBJJOJGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-20(2)12-6-4-11(5-7-12)19-24(22,23)14-9-10(15(16,17)18)3-8-13(14)21/h3-9,19,21H,1-2H3.
What are the key properties of N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 360.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 70331395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).