N-methylsulfonyl-3-(trifluoromethyl)benzamide

C9H8F3NO3S — CID 47232687

IUPACN-methylsulfonyl-3-(trifluoromethyl)benzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO3S/c1-17(15,16)13-8(14)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyBXNBVUUNNXMFHV-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.39
Rot. Bonds2

About N-methylsulfonyl-3-(trifluoromethyl)benzamide

N-methylsulfonyl-3-(trifluoromethyl)benzamide (PubChem CID 47232687) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is N-methylsulfonyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methylsulfonyl-3-(trifluoromethyl)benzamide
PubChem CID47232687
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC NameN-methylsulfonyl-3-(trifluoromethyl)benzamide
SMILESCS(=O)(=O)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO3S/c1-17(15,16)13-8(14)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKeyBXNBVUUNNXMFHV-UHFFFAOYSA-N
XLogP1.39
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-methylsulfonylbenzamide
CID 18331681
N-[(2S)-4-methylsulfonylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 70987921
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 154810388
[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
[[3-(trifluoromethyl)benzoyl]amino] acetate
CID 87589767
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82725291
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
4-methyl-3-pyrrol-1-yl-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166762
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
N-hydroxy-2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 88704396

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-methylsulfonyl-3-(trifluoromethyl)benzamide (CID 47232687) is N-methylsulfonyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methylsulfonyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-methylsulfonyl-3-(trifluoromethyl)benzamide is CS(=O)(=O)NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methylsulfonyl-3-(trifluoromethyl)benzamide?
The InChIKey is BXNBVUUNNXMFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c1-17(15,16)13-8(14)6-3-2-4-7(5-6)9(10,11)12/h2-5H,1H3,(H,13,14).
What are the key properties of N-methylsulfonyl-3-(trifluoromethyl)benzamide?
N-methylsulfonyl-3-(trifluoromethyl)benzamide has a molecular weight of 267.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 47232687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).