N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide

C9H7Cl2F3N2O3S — CID 43246826

IUPACN-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
SMILESNS(=O)(=O)c1cc(Cl)c(NC(=O)CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H7Cl2F3N2O3S/c10-5-1-4(20(15,18)19)2-6(11)8(5)16-7(17)3-9(12,13)14/h1-2H,3H2,(H,16,17)(H2,15,18,19)
InChIKeyNPAFTYRPPLWQPN-UHFFFAOYSA-N
MW351.13 g/mol
LogP2.53
Rot. Bonds3

About N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide

N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide (PubChem CID 43246826) has the molecular formula C9H7Cl2F3N2O3S and a molecular weight of 351.13 g/mol. Its IUPAC name is N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
PubChem CID43246826
Molecular FormulaC9H7Cl2F3N2O3S
Molecular Weight351.13 g/mol
Exact Mass349.95
IUPAC NameN-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
SMILESNS(=O)(=O)c1cc(Cl)c(NC(=O)CC(F)(F)F)c(Cl)c1
InChIInChI=1S/C9H7Cl2F3N2O3S/c10-5-1-4(20(15,18)19)2-6(11)8(5)16-7(17)3-9(12,13)14/h1-2H,3H2,(H,16,17)(H2,15,18,19)
InChIKeyNPAFTYRPPLWQPN-UHFFFAOYSA-N
XLogP2.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.13
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
CID 16778408
3,3,3-trifluoro-N-(3-fluoro-5-sulfamoylphenyl)propanamide
CID 61132230
N-(2,6-dichloro-4-sulfamoylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 9249472
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
N-(2,6-dichloro-4-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65155701
N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide
CID 61128272
N-(2,6-dichloro-4-sulfamoylphenyl)cyclopentanecarboxamide
CID 43246828
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 66256512
N-(2,6-dichloro-3-methyl-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246574
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
CID 64786329
N-(2,6-dichloro-4-sulfamoylphenyl)pyrimidine-5-carboxamide
CID 102922062
3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
CID 115580042

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide (CID 43246826) is N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide is NS(=O)(=O)c1cc(Cl)c(NC(=O)CC(F)(F)F)c(Cl)c1.
What is the InChIKey of N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide?
The InChIKey is NPAFTYRPPLWQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3N2O3S/c10-5-1-4(20(15,18)19)2-6(11)8(5)16-7(17)3-9(12,13)14/h1-2H,3H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide?
N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide has a molecular weight of 351.13 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 43246826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).