N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide

C14H11ClF3NO2S — CID 84511027

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H11ClF3NO2S/c1-19(22(20,21)11-5-3-2-4-6-11)13-9-10(14(16,17)18)7-8-12(13)15/h2-9H,1H3
InChIKeyNLABCCONHIEJTA-UHFFFAOYSA-N
MW349.76 g/mol
LogP4.18
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 84511027) has the molecular formula C14H11ClF3NO2S and a molecular weight of 349.76 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID84511027
Molecular FormulaC14H11ClF3NO2S
Molecular Weight349.76 g/mol
Exact Mass349.02
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H11ClF3NO2S/c1-19(22(20,21)11-5-3-2-4-6-11)13-9-10(14(16,17)18)7-8-12(13)15/h2-9H,1H3
InChIKeyNLABCCONHIEJTA-UHFFFAOYSA-N
XLogP4.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.76
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
CID 110604269
N-[2-chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylbenzenesulfonamide
CID 20704115
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 1311493
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide
CID 110604267
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
carbon dioxide;N-methyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 159596379
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
CID 2207937
1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene
CID 110613248
1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 82080672
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-N-methylbenzenesulfonamide
CID 142017251
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-(1,1-dimethylpiperidin-1-ium-4-yl)-2-oxobutyl]benzenesulfonamide
CID 161319302
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2194413

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide (CID 84511027) is N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide is CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is NLABCCONHIEJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2S/c1-19(22(20,21)11-5-3-2-4-6-11)13-9-10(14(16,17)18)7-8-12(13)15/h2-9H,1H3.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 349.76 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 84511027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).