N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

C16H15F3N2O4S — CID 1013172

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3N2O4S/c1-2-25-13-7-3-12(4-8-13)21-26(23,24)14-9-5-11(6-10-14)20-15(22)16(17,18)19/h3-10,21H,2H2,1H3,(H,20,22)
InChIKeyAEAWMSBEJMDZIN-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.39
Rot. Bonds6

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 1013172) has the molecular formula C16H15F3N2O4S and a molecular weight of 388.37 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID1013172
Molecular FormulaC16H15F3N2O4S
Molecular Weight388.37 g/mol
Exact Mass388.07
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3N2O4S/c1-2-25-13-7-3-12(4-8-13)21-26(23,24)14-9-5-11(6-10-14)20-15(22)16(17,18)19/h3-10,21H,2H2,1H3,(H,20,22)
InChIKeyAEAWMSBEJMDZIN-UHFFFAOYSA-N
XLogP3.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 126395320
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
2-(4-tert-butylphenoxy)-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3278728
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
ethyl 4-[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 3367532
N-(4-butoxyphenyl)-2,2,2-trifluoroacetamide
CID 5133373
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide (CID 1013172) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is AEAWMSBEJMDZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O4S/c1-2-25-13-7-3-12(4-8-13)21-26(23,24)14-9-5-11(6-10-14)20-15(22)16(17,18)19/h3-10,21H,2H2,1H3,(H,20,22).
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 388.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1013172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).