5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide

C14H12ClF3N2O4S2 — CID 17486279

IUPAC5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1S(N)(=O)=O
InChIInChI=1S/C14H12ClF3N2O4S2/c1-8-2-3-9(6-13(8)25(19,21)22)20-26(23,24)10-4-5-12(15)11(7-10)14(16,17)18/h2-7,20H,1H3,(H2,19,21,22)
InChIKeyQIJIEZVIZMHUDG-UHFFFAOYSA-N
MW428.84 g/mol
LogP3.12
Rot. Bonds4

About 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide

5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide (PubChem CID 17486279) has the molecular formula C14H12ClF3N2O4S2 and a molecular weight of 428.84 g/mol. Its IUPAC name is 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide
PubChem CID17486279
Molecular FormulaC14H12ClF3N2O4S2
Molecular Weight428.84 g/mol
Exact Mass427.99
IUPAC Name5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1S(N)(=O)=O
InChIInChI=1S/C14H12ClF3N2O4S2/c1-8-2-3-9(6-13(8)25(19,21)22)20-26(23,24)10-4-5-12(15)11(7-10)14(16,17)18/h2-7,20H,1H3,(H2,19,21,22)
InChIKeyQIJIEZVIZMHUDG-UHFFFAOYSA-N
XLogP3.12
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-4'-ethylbenzenesulfonanilide
CID 710437
4-chloro-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 295196
N-[3-(aminosulfonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2812469
US9663460, Example 2
CID 57378321
3-amino-4-chloro-N-(3-chloro-4-methylphenyl)benzene-1-sulfonamide
CID 3843782
N-(3-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 295160
5-[(3-chlorophenyl)sulfonylamino]-N,N-diethyl-2-methylbenzenesulfonamide
CID 4022271
(2-Chlorophenyl){[2-(trifluoromethyl)phenyl]sulfonyl}amine
CID 697916
4-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 722853
4-chloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 765332
N-(4-chloro-3-(trifluoromethyl)phenyl)-3-methylbenzenesulfonamide
CID 852200
Benzenesulfonamide, 4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-
CID 2810851

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide (CID 17486279) is 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1S(N)(=O)=O.
What is the InChIKey of 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide?
The InChIKey is QIJIEZVIZMHUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O4S2/c1-8-2-3-9(6-13(8)25(19,21)22)20-26(23,24)10-4-5-12(15)11(7-10)14(16,17)18/h2-7,20H,1H3,(H2,19,21,22).
What are the key properties of 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide?
5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide has a molecular weight of 428.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 17486279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).