N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide

C9H4BrClF2N2O2S2 — CID 65467042

IUPACN-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1c(F)cc(Br)cc1F)c1cnc(Cl)s1
InChIInChI=1S/C9H4BrClF2N2O2S2/c10-4-1-5(12)8(6(13)2-4)15-19(16,17)7-3-14-9(11)18-7/h1-3,15H
InChIKeyPIUFARHDUSTMAP-UHFFFAOYSA-N
MW389.63 g/mol
LogP3.64
Rot. Bonds3

About N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide

N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide (PubChem CID 65467042) has the molecular formula C9H4BrClF2N2O2S2 and a molecular weight of 389.63 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
PubChem CID65467042
Molecular FormulaC9H4BrClF2N2O2S2
Molecular Weight389.63 g/mol
Exact Mass387.86
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(Nc1c(F)cc(Br)cc1F)c1cnc(Cl)s1
InChIInChI=1S/C9H4BrClF2N2O2S2/c10-4-1-5(12)8(6(13)2-4)15-19(16,17)7-3-14-9(11)18-7/h1-3,15H
InChIKeyPIUFARHDUSTMAP-UHFFFAOYSA-N
XLogP3.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.63
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2,6-dibromo-4-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455933
N-(4-bromophenyl)-2-chloro-1,3-thiazole-5-sulfonamide
CID 43427435
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 107573403
5-bromo-N-(4-bromo-2,6-difluorophenyl)thiophene-2-sulfonamide
CID 65499829
2-chloro-N-(5-fluoro-2-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43427475
2-chloro-N-methyl-1,3-thiazole-5-sulfonamide
CID 43455781
2-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61229017
2-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 43455848
N-[1-(4-bromophenyl)ethyl]-2-chloro-1,3-thiazole-5-sulfonamide
CID 61053705
5-[(4-bromo-2,6-difluorophenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106271389
5-bromo-2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorophenol
CID 168584289
2-chloro-N-[3-chloro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 116699344

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide (CID 65467042) is N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide is O=S(=O)(Nc1c(F)cc(Br)cc1F)c1cnc(Cl)s1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
The InChIKey is PIUFARHDUSTMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClF2N2O2S2/c10-4-1-5(12)8(6(13)2-4)15-19(16,17)7-3-14-9(11)18-7/h1-3,15H.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide?
N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide has a molecular weight of 389.63 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-2-chloro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 65467042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).