N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H13F3N2O4S — CID 103208716

IUPACN-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H13F3N2O4S/c1-7-4-8(21(15,18)19)2-3-9(7)16-10(17)5-20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyAEBHDGCJZLSZPR-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.16
Rot. Bonds5

About N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103208716) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103208716
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC NameN-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1cc(S(N)(=O)=O)ccc1NC(=O)COCC(F)(F)F
InChIInChI=1S/C11H13F3N2O4S/c1-7-4-8(21(15,18)19)2-3-9(7)16-10(17)5-20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyAEBHDGCJZLSZPR-UHFFFAOYSA-N
XLogP1.16
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433
N-(4-butoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87043030
2-tert-butylsulfanyl-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 61132847
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
N-(2-bromo-4-sulfamoylphenyl)-2-ethoxyacetamide
CID 43134112
2-[4-chloro-2-[4-isocyano-2-(trifluoromethyl)benzoyl]phenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 58962683
2-cyclobutyl-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 103164399
3-methyl-4-[(2-propoxyacetyl)amino]benzenesulfonyl chloride
CID 107938552
3-amino-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205666
3-bromo-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103206033
2-ethyl-N-(2-methyl-4-sulfamoylphenyl)butanamide
CID 43246558

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103208716) is N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is Cc1cc(S(N)(=O)=O)ccc1NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AEBHDGCJZLSZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c1-7-4-8(21(15,18)19)2-3-9(7)16-10(17)5-20-6-11(12,13)14/h2-4H,5-6H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 326.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103208716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).