3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

C17H17F3N2O4S — CID 24555949

IUPAC3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)26-14-6-8-15(9-7-14)27(24,25)22(11-10-16(21)23)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,21,23)
InChIKeyYZZBCEQMOKKTPJ-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.65
Rot. Bonds8

About 3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide

3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (PubChem CID 24555949) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is 3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
PubChem CID24555949
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC Name3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)26-14-6-8-15(9-7-14)27(24,25)22(11-10-16(21)23)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,21,23)
InChIKeyYZZBCEQMOKKTPJ-UHFFFAOYSA-N
XLogP2.65
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
N-benzyl-N-cyclopropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 24663515
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
CID 113222280
3-[(3-acetamido-4-methoxyphenyl)sulfonyl-benzylamino]propanamide
CID 24555959
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
N-butyl-N-propyl-4-(trifluoromethoxy)benzenesulfonamide
CID 71107488
3-[benzyl-(4-bromophenyl)sulfonylamino]propanoic acid
CID 45472537
N-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 55903709
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-(3-aminopropyl)-N-benzyl-4-propan-2-yloxybenzenesulfonamide
CID 120664319
3-[benzyl-(4-bromo-2,6-dichlorophenyl)sulfonylamino]propanamide
CID 24555937

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The IUPAC name of 3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide (CID 24555949) is 3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
The InChIKey is YZZBCEQMOKKTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c18-17(19,20)26-14-6-8-15(9-7-14)27(24,25)22(11-10-16(21)23)12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,21,23).
What are the key properties of 3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide?
3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide has a molecular weight of 402.39 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 24555949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).