4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

C9H7BrCl2F3NO3S — CID 103833989

IUPAC4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H7BrCl2F3NO3S/c10-4-1-5(11)8(6(12)2-4)20(18,19)16-3-7(17)9(13,14)15/h1-2,7,16-17H,3H2
InChIKeyKHVUCEIJHZSOLA-UHFFFAOYSA-N
MW417.03 g/mol
LogP2.96
Rot. Bonds4

About 4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 103833989) has the molecular formula C9H7BrCl2F3NO3S and a molecular weight of 417.03 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID103833989
Molecular FormulaC9H7BrCl2F3NO3S
Molecular Weight417.03 g/mol
Exact Mass414.87
IUPAC Name4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H7BrCl2F3NO3S/c10-4-1-5(11)8(6(12)2-4)20(18,19)16-3-7(17)9(13,14)15/h1-2,7,16-17H,3H2
InChIKeyKHVUCEIJHZSOLA-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.03
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-(3-ethyl-2-hydroxypentyl)benzenesulfonamide
CID 106288270
4-bromo-2,6-dichloro-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147534
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834064
4-bromo-2,6-dichloro-N-ethylbenzenesulfonamide
CID 2448035
4-bromo-2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605913
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
4-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]-2-methylbutanoic acid
CID 80540502
4-bromo-2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113248495
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
4-bromo-2,6-dichloro-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 115650766
2-[(4-bromo-2,6-dichlorophenyl)sulfonylamino]oxyacetic acid
CID 60661245
3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834023

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (CID 103833989) is 4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is O=S(=O)(NCC(O)C(F)(F)F)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is KHVUCEIJHZSOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2F3NO3S/c10-4-1-5(11)8(6(12)2-4)20(18,19)16-3-7(17)9(13,14)15/h1-2,7,16-17H,3H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 417.03 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 103833989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).