2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C11H9BrF2N2O2S2 — CID 61066905

IUPAC2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2c(F)cc(F)cc2Br)cs1
InChIInChI=1S/C11H9BrF2N2O2S2/c1-6-16-8(5-19-6)4-15-20(17,18)11-9(12)2-7(13)3-10(11)14/h2-3,5,15H,4H2,1H3
InChIKeyQWTQCEQRLVKMQD-UHFFFAOYSA-N
MW383.24 g/mol
LogP2.97
Rot. Bonds4

About 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide

2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 61066905) has the molecular formula C11H9BrF2N2O2S2 and a molecular weight of 383.24 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID61066905
Molecular FormulaC11H9BrF2N2O2S2
Molecular Weight383.24 g/mol
Exact Mass381.93
IUPAC Name2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2c(F)cc(F)cc2Br)cs1
InChIInChI=1S/C11H9BrF2N2O2S2/c1-6-16-8(5-19-6)4-15-20(17,18)11-9(12)2-7(13)3-10(11)14/h2-3,5,15H,4H2,1H3
InChIKeyQWTQCEQRLVKMQD-UHFFFAOYSA-N
XLogP2.97
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

2-bromo-4,6-difluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 61066611
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
5-amino-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 61282243
2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62524776
3-amino-4-bromo-5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 103077389
2,4,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3238536
4-methyl-2-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 102752695
2-bromo-4,6-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106406985
3-(aminomethyl)-4-fluoro-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 81427952
2-bromo-4,6-difluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60643600
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375
2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 55119019

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 61066905) is 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is Cc1nc(CNS(=O)(=O)c2c(F)cc(F)cc2Br)cs1.
What is the InChIKey of 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is QWTQCEQRLVKMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O2S2/c1-6-16-8(5-19-6)4-15-20(17,18)11-9(12)2-7(13)3-10(11)14/h2-3,5,15H,4H2,1H3.
What are the key properties of 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 383.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61066905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).