4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide

C12H15F3N2O3S — CID 104855003

IUPAC4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
SMILESCc1ccc(C(=O)NC(C)CC(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C12H15F3N2O3S/c1-7-3-4-9(5-10(7)21(16,19)20)11(18)17-8(2)6-12(13,14)15/h3-5,8H,6H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyXHPFCUOAXULYJQ-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.71
Rot. Bonds4

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

4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide (PubChem CID 104855003) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide.

Molecular Properties

Compound Name4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
PubChem CID104855003
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
SMILESCc1ccc(C(=O)NC(C)CC(F)(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C12H15F3N2O3S/c1-7-3-4-9(5-10(7)21(16,19)20)11(18)17-8(2)6-12(13,14)15/h3-5,8H,6H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyXHPFCUOAXULYJQ-UHFFFAOYSA-N
XLogP1.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-4-methyl-3-sulfamoylbenzamide
CID 60681995
4-fluoro-3-methyl-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 113461612
3-bromo-4-chloro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854902
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
4-bromo-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854996
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
3-iodo-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104854865
N-butan-2-yl-4-fluoro-3-methyl-5-sulfamoylbenzamide
CID 65374785
4-methyl-N-(3-methylsulfinylbutyl)-3-sulfamoylbenzamide
CID 115729503
2-methyl-5-[(2,3,4,5,6-pentafluoroanilino)carbamoyl]benzenesulfonamide
CID 9089044
5-(4-methoxybutan-2-ylcarbamoyl)-2-methylbenzenesulfonyl chloride
CID 65396135
N-[(2R)-butan-2-yl]-4-methoxy-3-sulfamoylbenzamide
CID 96561901

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The IUPAC name of 4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide (CID 104855003) is 4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide.
What is the SMILES notation for 4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The canonical SMILES for 4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide is Cc1ccc(C(=O)NC(C)CC(F)(F)F)cc1S(N)(=O)=O.
What is the InChIKey of 4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide?
The InChIKey is XHPFCUOAXULYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-7-3-4-9(5-10(7)21(16,19)20)11(18)17-8(2)6-12(13,14)15/h3-5,8H,6H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of 4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide?
4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide has a molecular weight of 324.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-sulfamoyl-N-(4,4,4-trifluorobutan-2-yl)benzamide is sourced from PubChem (CID 104855003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).