2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide

C17H17F3N2O3S — CID 24656547

IUPAC2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H17F3N2O3S/c1-17(2,3)16(23)21-10-5-4-6-11(9-10)22-26(24,25)13-8-7-12(18)14(19)15(13)20/h4-9,22H,1-3H3,(H,21,23)
InChIKeyRWKIWXGOUBDJBA-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.89
Rot. Bonds4

About 2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide

2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide (PubChem CID 24656547) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide
PubChem CID24656547
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H17F3N2O3S/c1-17(2,3)16(23)21-10-5-4-6-11(9-10)22-26(24,25)13-8-7-12(18)14(19)15(13)20/h4-9,22H,1-3H3,(H,21,23)
InChIKeyRWKIWXGOUBDJBA-UHFFFAOYSA-N
XLogP3.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 24656569
[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
CID 36510536
N-[3-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]propanoyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55942057
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 55526457
2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419429
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-[3-[(2-ethyl-1,3-dihydroisoindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 18343259
4-[[3-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 38891806
2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide (CID 24656547) is 2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide?
The InChIKey is RWKIWXGOUBDJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-17(2,3)16(23)21-10-5-4-6-11(9-10)22-26(24,25)13-8-7-12(18)14(19)15(13)20/h4-9,22H,1-3H3,(H,21,23).
What are the key properties of 2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide?
2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide has a molecular weight of 386.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide is sourced from PubChem (CID 24656547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).