N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide

C14H12F3NO2S — CID 141280125

IUPACN-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO2S/c1-10-12(14(15,16)17)8-5-9-13(10)18-21(19,20)11-6-3-2-4-7-11/h2-9,18H,1H3
InChIKeyHGKMHJSYWYPEDD-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.81
Rot. Bonds3

About N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide

N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 141280125) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID141280125
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC NameN-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C14H12F3NO2S/c1-10-12(14(15,16)17)8-5-9-13(10)18-21(19,20)11-6-3-2-4-7-11/h2-9,18H,1H3
InChIKeyHGKMHJSYWYPEDD-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 5013435
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3861159
N-[[2-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]acetamide
CID 86799382
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3811845
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
4-methyl-N-[2-nitro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 102196173
N-(2-tert-butylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3526040
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
3-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 78845439
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide
CID 24591363

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 141280125) is N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide is Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(F)(F)F.
What is the InChIKey of N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is HGKMHJSYWYPEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c1-10-12(14(15,16)17)8-5-9-13(10)18-21(19,20)11-6-3-2-4-7-11/h2-9,18H,1H3.
What are the key properties of N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 315.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 141280125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).