2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

C16H15ClF3NO5S — CID 26952548

IUPAC2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC
InChIInChI=1S/C16H15ClF3NO5S/c1-24-12-7-10(8-13(25-2)15(12)26-3)21-27(22,23)14-6-9(16(18,19)20)4-5-11(14)17/h4-8,21H,1-3H3
InChIKeyIJCYTGNHRDPVCR-UHFFFAOYSA-N
MW425.81 g/mol
LogP4.19
Rot. Bonds6

About 2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide

2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (PubChem CID 26952548) has the molecular formula C16H15ClF3NO5S and a molecular weight of 425.81 g/mol. Its IUPAC name is 2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
PubChem CID26952548
Molecular FormulaC16H15ClF3NO5S
Molecular Weight425.81 g/mol
Exact Mass425.03
IUPAC Name2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC
InChIInChI=1S/C16H15ClF3NO5S/c1-24-12-7-10(8-13(25-2)15(12)26-3)21-27(22,23)14-6-9(16(18,19)20)4-5-11(14)17/h4-8,21H,1-3H3
InChIKeyIJCYTGNHRDPVCR-UHFFFAOYSA-N
XLogP4.19
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.81
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide (CID 26952548) is 2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1OC.
What is the InChIKey of 2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
The InChIKey is IJCYTGNHRDPVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3NO5S/c1-24-12-7-10(8-13(25-2)15(12)26-3)21-27(22,23)14-6-9(16(18,19)20)4-5-11(14)17/h4-8,21H,1-3H3.
What are the key properties of 2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide?
2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide has a molecular weight of 425.81 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 26952548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).