4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H10BrClF3NO3S — CID 61216582

IUPAC4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H10BrClF3NO3S/c11-7-1-2-9(8(12)5-7)20(18,19)16(3-4-17)6-10(13,14)15/h1-2,5,17H,3-4,6H2
InChIKeyUXIQRTOPXKKLRX-UHFFFAOYSA-N
MW396.61 g/mol
LogP2.65
Rot. Bonds5

About 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 61216582) has the molecular formula C10H10BrClF3NO3S and a molecular weight of 396.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID61216582
Molecular FormulaC10H10BrClF3NO3S
Molecular Weight396.61 g/mol
Exact Mass394.92
IUPAC Name4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H10BrClF3NO3S/c11-7-1-2-9(8(12)5-7)20(18,19)16(3-4-17)6-10(13,14)15/h1-2,5,17H,3-4,6H2
InChIKeyUXIQRTOPXKKLRX-UHFFFAOYSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.61
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 61216582) is 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(c1ccc(Br)cc1Cl)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is UXIQRTOPXKKLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF3NO3S/c11-7-1-2-9(8(12)5-7)20(18,19)16(3-4-17)6-10(13,14)15/h1-2,5,17H,3-4,6H2.
What are the key properties of 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 396.61 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 61216582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).