3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

C10H10BrClF3NO4S — CID 103834105

IUPAC3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H10BrClF3NO4S/c1-20-9-6(11)2-5(12)3-7(9)21(18,19)16-4-8(17)10(13,14)15/h2-3,8,16-17H,4H2,1H3
InChIKeyANWQZKICYBXIOZ-UHFFFAOYSA-N
MW412.61 g/mol
LogP2.31
Rot. Bonds5

About 3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 103834105) has the molecular formula C10H10BrClF3NO4S and a molecular weight of 412.61 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID103834105
Molecular FormulaC10H10BrClF3NO4S
Molecular Weight412.61 g/mol
Exact Mass410.92
IUPAC Name3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESCOc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C10H10BrClF3NO4S/c1-20-9-6(11)2-5(12)3-7(9)21(18,19)16-4-8(17)10(13,14)15/h2-3,8,16-17H,4H2,1H3
InChIKeyANWQZKICYBXIOZ-UHFFFAOYSA-N
XLogP2.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.61
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (CID 103834105) is 3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is COc1c(Br)cc(Cl)cc1S(=O)(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is ANWQZKICYBXIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF3NO4S/c1-20-9-6(11)2-5(12)3-7(9)21(18,19)16-4-8(17)10(13,14)15/h2-3,8,16-17H,4H2,1H3.
What are the key properties of 3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 412.61 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 103834105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).