2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide

C11H13F3N2O3S — CID 63228100

IUPAC2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCc1cc(S(N)(=O)=O)ccc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-7-6-8(20(15,18)19)2-3-9(7)10(17)16-5-4-11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyXJJQZSDIDHYOEN-UHFFFAOYSA-N
MW310.30 g/mol
LogP1.32
Rot. Bonds4

About 2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide

2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 63228100) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID63228100
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCc1cc(S(N)(=O)=O)ccc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-7-6-8(20(15,18)19)2-3-9(7)10(17)16-5-4-11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyXJJQZSDIDHYOEN-UHFFFAOYSA-N
XLogP1.32
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(5-methylhexyl)-4-sulfamoylbenzamide
CID 115326819
N-(3-ethylpentan-3-yl)-2-methyl-4-sulfamoylbenzamide
CID 65042610
2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657
N-(2,2-difluoroethyl)-2-methyl-5-sulfamoylbenzamide
CID 79079912
4-bromo-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65387521
2,5-difluoro-3-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide
CID 65388478
4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65397043
N-(2-benzamidoethyl)-2-methyl-5-sulfamoylbenzamide
CID 38196154
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 61130873
N-but-3-yn-2-yl-2-methyl-4-sulfamoylbenzamide
CID 114418677
N-(2-ethylsulfonylethyl)-2-fluoro-5-sulfamoylbenzamide
CID 74236642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide (CID 63228100) is 2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide is Cc1cc(S(N)(=O)=O)ccc1C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is XJJQZSDIDHYOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-7-6-8(20(15,18)19)2-3-9(7)10(17)16-5-4-11(12,13)14/h2-3,6H,4-5H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide?
2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 310.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-sulfamoyl-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 63228100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).