4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide

C15H13ClF3NO3S — CID 143925868

IUPAC4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO3S/c1-20(2)24(21,22)12-7-8-14(13(9-12)15(17,18)19)23-11-5-3-10(16)4-6-11/h3-9H,1-2H3
InChIKeyNQAPXGTWBCBGHG-UHFFFAOYSA-N
MW379.79 g/mol
LogP4.40
Rot. Bonds4

About 4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide

4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 143925868) has the molecular formula C15H13ClF3NO3S and a molecular weight of 379.79 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID143925868
Molecular FormulaC15H13ClF3NO3S
Molecular Weight379.79 g/mol
Exact Mass379.03
IUPAC Name4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H13ClF3NO3S/c1-20(2)24(21,22)12-7-8-14(13(9-12)15(17,18)19)23-11-5-3-10(16)4-6-11/h3-9H,1-2H3
InChIKeyNQAPXGTWBCBGHG-UHFFFAOYSA-N
XLogP4.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43162703
3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide
CID 43341127
4-(dimethylsulfamoyl)-2-(trifluoromethyl)benzamide
CID 54168288
N-(2-aminoethyl)-4-chloro-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 62687721
1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 173140942
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-(trifluoromethyl)benzenesulfonyl chloride
CID 87206404
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 30329404
1-methoxy-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 121234937
4-chloro-N,N-dipropyl-3-(trifluoromethyl)benzenesulfonamide
CID 134017324
4-[4-azido-2-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 169326430
4-(4-aminophenoxy)-N,N-dimethylbenzenesulfonamide
CID 12943036

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide (CID 143925868) is 4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NQAPXGTWBCBGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO3S/c1-20(2)24(21,22)12-7-8-14(13(9-12)15(17,18)19)23-11-5-3-10(16)4-6-11/h3-9H,1-2H3.
What are the key properties of 4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide?
4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 379.79 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N,N-dimethyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 143925868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).