2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

C9H8Br2F3NO3S — CID 103834064

IUPAC2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1ccc(Br)cc1Br
InChIInChI=1S/C9H8Br2F3NO3S/c10-5-1-2-7(6(11)3-5)19(17,18)15-4-8(16)9(12,13)14/h1-3,8,15-16H,4H2
InChIKeyDNAPZVIEDFKTGC-UHFFFAOYSA-N
MW427.04 g/mol
LogP2.41
Rot. Bonds4

About 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide

2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (PubChem CID 103834064) has the molecular formula C9H8Br2F3NO3S and a molecular weight of 427.04 g/mol. Its IUPAC name is 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
PubChem CID103834064
Molecular FormulaC9H8Br2F3NO3S
Molecular Weight427.04 g/mol
Exact Mass424.85
IUPAC Name2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)(F)F)c1ccc(Br)cc1Br
InChIInChI=1S/C9H8Br2F3NO3S/c10-5-1-2-7(6(11)3-5)19(17,18)15-4-8(16)9(12,13)14/h1-3,8,15-16H,4H2
InChIKeyDNAPZVIEDFKTGC-UHFFFAOYSA-N
XLogP2.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.04
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833989
2,4-dibromo-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824508
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
2,4-dibromo-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66180968
2,5-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]thiophene-3-sulfonamide
CID 97239246
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776
2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 47319560
3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165035
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 116528761
2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
CID 79090264
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide (CID 103834064) is 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is O=S(=O)(NCC(O)C(F)(F)F)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
The InChIKey is DNAPZVIEDFKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2F3NO3S/c10-5-1-2-7(6(11)3-5)19(17,18)15-4-8(16)9(12,13)14/h1-3,8,15-16H,4H2.
What are the key properties of 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide?
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide has a molecular weight of 427.04 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 103834064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).