2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide

C10H9BrF2N4O2S — CID 106282347

IUPAC2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(F)cc(F)cc1Br)c1ncn[nH]1
InChIInChI=1S/C10H9BrF2N4O2S/c1-5(10-14-4-15-16-10)17-20(18,19)9-7(11)2-6(12)3-8(9)13/h2-5,17H,1H3,(H,14,15,16)
InChIKeyVKMKAVZLNKJNJD-UHFFFAOYSA-N
MW367.18 g/mol
LogP1.88
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide

2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106282347) has the molecular formula C10H9BrF2N4O2S and a molecular weight of 367.18 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106282347
Molecular FormulaC10H9BrF2N4O2S
Molecular Weight367.18 g/mol
Exact Mass365.96
IUPAC Name2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(F)cc(F)cc1Br)c1ncn[nH]1
InChIInChI=1S/C10H9BrF2N4O2S/c1-5(10-14-4-15-16-10)17-20(18,19)9-7(11)2-6(12)3-8(9)13/h2-5,17H,1H3,(H,14,15,16)
InChIKeyVKMKAVZLNKJNJD-UHFFFAOYSA-N
XLogP1.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.18
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dibromo-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103943221
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 103885398
3-fluoro-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106282414
3-(aminomethyl)-5-bromo-2-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283753
2,3-difluoro-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283949
3,5-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2-oxazole-4-sulfonamide
CID 103885361
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281139
3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 138026371
methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 61141689
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 43237791
1,3,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 103885464
3-(aminomethyl)-4-chloro-5-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283923

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide (CID 106282347) is 2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1c(F)cc(F)cc1Br)c1ncn[nH]1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is VKMKAVZLNKJNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2N4O2S/c1-5(10-14-4-15-16-10)17-20(18,19)9-7(11)2-6(12)3-8(9)13/h2-5,17H,1H3,(H,14,15,16).
What are the key properties of 2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 367.18 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106282347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).