N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C17H17F3N2O4S — CID 78843246

IUPACN-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESO=C(NCCCO)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)12-5-3-6-13(11-12)27(25,26)22-15-8-2-1-7-14(15)16(24)21-9-4-10-23/h1-3,5-8,11,22-23H,4,9-10H2,(H,21,24)
InChIKeyGBHBBDVMASRTCN-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.62
Rot. Bonds7

About N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 78843246) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID78843246
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESO=C(NCCCO)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)12-5-3-6-13(11-12)27(25,26)22-15-8-2-1-7-14(15)16(24)21-9-4-10-23/h1-3,5-8,11,22-23H,4,9-10H2,(H,21,24)
InChIKeyGBHBBDVMASRTCN-UHFFFAOYSA-N
XLogP2.62
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-(pyridin-3-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2336757
N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2333973
2-[[3,5-bis(trifluoromethyl)phenyl]sulfonylamino]-N-(3-imidazol-1-ylpropyl)benzamide
CID 13280089
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 55621279
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536163
N-butyl-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 2219434
5-methoxy-N-(2-thiophen-2-ylethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 10299704

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 78843246) is N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is O=C(NCCCO)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is GBHBBDVMASRTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c18-17(19,20)12-5-3-6-13(11-12)27(25,26)22-15-8-2-1-7-14(15)16(24)21-9-4-10-23/h1-3,5-8,11,22-23H,4,9-10H2,(H,21,24).
What are the key properties of N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 402.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 78843246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).