3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide

C15H13Cl2F3N2O3S — CID 42640876

IUPAC3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1cccc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H13Cl2F3N2O3S/c16-12-6-9(15(18,19)20)7-13(17)14(12)22-10-2-1-3-11(8-10)26(24,25)21-4-5-23/h1-3,6-8,21-23H,4-5H2
InChIKeyIZTDMRKDOWDBPT-UHFFFAOYSA-N
MW429.25 g/mol
LogP4.03
Rot. Bonds6

About 3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide

3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 42640876) has the molecular formula C15H13Cl2F3N2O3S and a molecular weight of 429.25 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID42640876
Molecular FormulaC15H13Cl2F3N2O3S
Molecular Weight429.25 g/mol
Exact Mass428.00
IUPAC Name3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1cccc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1
InChIInChI=1S/C15H13Cl2F3N2O3S/c16-12-6-9(15(18,19)20)7-13(17)14(12)22-10-2-1-3-11(8-10)26(24,25)21-4-5-23/h1-3,6-8,21-23H,4-5H2
InChIKeyIZTDMRKDOWDBPT-UHFFFAOYSA-N
XLogP4.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.25
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide (CID 42640876) is 3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1cccc(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1.
What is the InChIKey of 3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is IZTDMRKDOWDBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F3N2O3S/c16-12-6-9(15(18,19)20)7-13(17)14(12)22-10-2-1-3-11(8-10)26(24,25)21-4-5-23/h1-3,6-8,21-23H,4-5H2.
What are the key properties of 3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide?
3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 429.25 g/mol, XLogP of 4.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(trifluoromethyl)anilino]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 42640876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).