N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide

C10H11F3N2O3S — CID 154143738

IUPACN-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C10H11F3N2O3S/c1-5-3-9(19(14,17)18)7(10(11,12)13)4-8(5)15-6(2)16/h3-4H,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyNZMBANFNEOLZMI-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.62
Rot. Bonds2

About N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide

N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 154143738) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID154143738
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC NameN-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1C
InChIInChI=1S/C10H11F3N2O3S/c1-5-3-9(19(14,17)18)7(10(11,12)13)4-8(5)15-6(2)16/h3-4H,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyNZMBANFNEOLZMI-UHFFFAOYSA-N
XLogP1.62
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-5-sulfamoyl-4-(trifluoromethyl)benzoic acid
CID 154136746
N-(5-fluoro-2-methyl-4-sulfamoylphenyl)acetamide
CID 20553706
5-methyl-2,4-bis(trifluoromethyl)benzenesulfonamide
CID 119007924
N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 170906918
4-ethyl-2,5-bis(trifluoromethyl)benzenesulfonamide
CID 119003631
N-(4,5-dichloro-2-sulfamoylphenyl)acetamide
CID 154352075
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
N-[2-methyl-5-(trifluoromethylsulfonyl)phenyl]acetamide
CID 825465
4-(trifluoromethyl)benzene-1,3-disulfonamide
CID 154218249
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
CID 14148742

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide (CID 154143738) is N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(F)(F)F)c(S(N)(=O)=O)cc1C.
What is the InChIKey of N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NZMBANFNEOLZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-5-3-9(19(14,17)18)7(10(11,12)13)4-8(5)15-6(2)16/h3-4H,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide?
N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 296.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-sulfamoyl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 154143738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).