N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide

C16H16F3NO4S — CID 31069220

IUPACN-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H16F3NO4S/c1-2-11-23-13-8-4-3-7-12(13)20-25(21,22)15-10-6-5-9-14(15)24-16(17,18)19/h3-10,20H,2,11H2,1H3
InChIKeyCKSTWFMTIAVGQM-UHFFFAOYSA-N
MW375.37 g/mol
LogP4.17
Rot. Bonds7

About N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 31069220) has the molecular formula C16H16F3NO4S and a molecular weight of 375.37 g/mol. Its IUPAC name is N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID31069220
Molecular FormulaC16H16F3NO4S
Molecular Weight375.37 g/mol
Exact Mass375.08
IUPAC NameN-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCCCOc1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H16F3NO4S/c1-2-11-23-13-8-4-3-7-12(13)20-25(21,22)15-10-6-5-9-14(15)24-16(17,18)19/h3-10,20H,2,11H2,1H3
InChIKeyCKSTWFMTIAVGQM-UHFFFAOYSA-N
XLogP4.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
2-chloro-N-(2-propoxyphenyl)benzenesulfonamide
CID 7938551
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737
N-(4-fluoro-2-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 18148145
N-(3-tert-butyl-2-fluoro-4-methylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 169074985
3,4-dimethyl-5-[(2-propoxyphenyl)sulfamoyl]benzoic acid
CID 9238408
N-(2-chloro-3-pyridinyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 71943479
4-methoxy-1-N,3-N-bis(2-propoxyphenyl)benzene-1,3-disulfonamide
CID 25060735
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
5-methyl-N-(2-propoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 61248809
5-[(2-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 25353009
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 31069220) is N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide is CCCOc1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CKSTWFMTIAVGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO4S/c1-2-11-23-13-8-4-3-7-12(13)20-25(21,22)15-10-6-5-9-14(15)24-16(17,18)19/h3-10,20H,2,11H2,1H3.
What are the key properties of N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 31069220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).