N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide

C15H20ClF3N2O4S — CID 78874093

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)OCC(F)(F)F)c1
InChIInChI=1S/C15H20ClF3N2O4S/c1-4-21(5-2)26(23,24)11-6-7-12(16)13(8-11)20-14(22)10(3)25-9-15(17,18)19/h6-8,10H,4-5,9H2,1-3H3,(H,20,22)
InChIKeyBBRBBSUYAKLMTA-UHFFFAOYSA-N
MW416.85 g/mol
LogP3.28
Rot. Bonds8

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 78874093) has the molecular formula C15H20ClF3N2O4S and a molecular weight of 416.85 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID78874093
Molecular FormulaC15H20ClF3N2O4S
Molecular Weight416.85 g/mol
Exact Mass416.08
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)OCC(F)(F)F)c1
InChIInChI=1S/C15H20ClF3N2O4S/c1-4-21(5-2)26(23,24)11-6-7-12(16)13(8-11)20-14(22)10(3)25-9-15(17,18)19/h6-8,10H,4-5,9H2,1-3H3,(H,20,22)
InChIKeyBBRBBSUYAKLMTA-UHFFFAOYSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.85
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(dimethylamino)piperidin-1-yl]propanamide
CID 112840558
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 56518150
(2R)-N-[4-(dimethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38908113
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 42972484
[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-methyl-1H-indole-3-carboxylate
CID 43034077
[1-[2-chloro-5-(diethylsulfamoyl)anilino]-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 55320752
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 3593320
[1-(2-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 6915026
[(2S)-1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)benzoate
CID 2505822
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42996447

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 78874093) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)C(C)OCC(F)(F)F)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BBRBBSUYAKLMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2O4S/c1-4-21(5-2)26(23,24)11-6-7-12(16)13(8-11)20-14(22)10(3)25-9-15(17,18)19/h6-8,10H,4-5,9H2,1-3H3,(H,20,22).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 416.85 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 78874093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).