2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide

C15H14ClF3N2O4S2 — CID 60586094

IUPAC2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c1
InChIInChI=1S/C15H14ClF3N2O4S2/c1-26(22,23)10-6-7-11(16)14(8-10)27(24,25)21-13-5-3-2-4-12(13)20-9-15(17,18)19/h2-8,20-21H,9H2,1H3
InChIKeyNMHZAXWPWUOCEL-UHFFFAOYSA-N
MW442.87 g/mol
LogP3.52
Rot. Bonds6

About 2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide

2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide (PubChem CID 60586094) has the molecular formula C15H14ClF3N2O4S2 and a molecular weight of 442.87 g/mol. Its IUPAC name is 2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
PubChem CID60586094
Molecular FormulaC15H14ClF3N2O4S2
Molecular Weight442.87 g/mol
Exact Mass442.00
IUPAC Name2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c1
InChIInChI=1S/C15H14ClF3N2O4S2/c1-26(22,23)10-6-7-11(16)14(8-10)27(24,25)21-13-5-3-2-4-12(13)20-9-15(17,18)19/h2-8,20-21H,9H2,1H3
InChIKeyNMHZAXWPWUOCEL-UHFFFAOYSA-N
XLogP3.52
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47074325
2-chloro-5-methylsulfonyl-N-(2-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55895336
2-fluoro-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784131
2-methoxy-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide
CID 47784110
4-chloro-N-(2-methylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536176
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
2-chloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267887
2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide
CID 134043562
2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 62656822
3-(methanesulfonamido)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829726
N-(3-aminobutyl)-2-chloro-5-methylsulfonylbenzenesulfonamide
CID 63251758
1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide
CID 75396743

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide (CID 60586094) is 2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide is CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c1.
What is the InChIKey of 2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
The InChIKey is NMHZAXWPWUOCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O4S2/c1-26(22,23)10-6-7-11(16)14(8-10)27(24,25)21-13-5-3-2-4-12(13)20-9-15(17,18)19/h2-8,20-21H,9H2,1H3.
What are the key properties of 2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide?
2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide has a molecular weight of 442.87 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfonyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 60586094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).