N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide

C15H13ClF3NO4S — CID 1295813

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13ClF3NO4S/c1-23-10-4-6-13(24-2)14(8-10)25(21,22)20-9-3-5-12(16)11(7-9)15(17,18)19/h3-8,20H,1-2H3
InChIKeyTYAVXHMKIXARIU-UHFFFAOYSA-N
MW395.79 g/mol
LogP4.18
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 1295813) has the molecular formula C15H13ClF3NO4S and a molecular weight of 395.79 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID1295813
Molecular FormulaC15H13ClF3NO4S
Molecular Weight395.79 g/mol
Exact Mass395.02
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H13ClF3NO4S/c1-23-10-4-6-13(24-2)14(8-10)25(21,22)20-9-3-5-12(16)11(7-9)15(17,18)19/h3-8,20H,1-2H3
InChIKeyTYAVXHMKIXARIU-UHFFFAOYSA-N
XLogP4.18
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methoxybenzenesulfonamide
CID 3712259
2,3-dichloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 126190415
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4,5-dimethoxybenzenesulfonamide
CID 27658187
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100666453
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
4-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 36513836
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 92670451
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 26438641
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide (CID 1295813) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is TYAVXHMKIXARIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO4S/c1-23-10-4-6-13(24-2)14(8-10)25(21,22)20-9-3-5-12(16)11(7-9)15(17,18)19/h3-8,20H,1-2H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 395.79 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 1295813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).