N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide

C10H6BrClFN3O3S2 — CID 87181448

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(F)c(Cl)c1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C10H6BrClFN3O3S2/c11-6-3-15-10(20-6)16-9(17)7-5(21(14,18)19)2-1-4(13)8(7)12/h1-3H,(H2,14,18,19)(H,15,16,17)
InChIKeyUNFOGLZUJUHXJD-UHFFFAOYSA-N
MW414.67 g/mol
LogP2.60
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide

N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide (PubChem CID 87181448) has the molecular formula C10H6BrClFN3O3S2 and a molecular weight of 414.67 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide
PubChem CID87181448
Molecular FormulaC10H6BrClFN3O3S2
Molecular Weight414.67 g/mol
Exact Mass412.87
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(F)c(Cl)c1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C10H6BrClFN3O3S2/c11-6-3-15-10(20-6)16-9(17)7-5(21(14,18)19)2-1-4(13)8(7)12/h1-3H,(H2,14,18,19)(H,15,16,17)
InChIKeyUNFOGLZUJUHXJD-UHFFFAOYSA-N
XLogP2.60
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.67
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4,5-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 676665
2-chloro-6-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 4875965
5-chloro-2-fluoro-3-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide
CID 87724023
5-chloro-2-fluoro-4-methyl-N-(5-methylsulfonyl-1,3-thiazol-2-yl)benzamide
CID 87724093
4-[(4-Chloro-3-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide
CID 140537415
4-[(3-Chloro-4-fluorophenyl)methyl-(5-chloro-1,3-thiazol-2-yl)sulfamoyl]benzamide
CID 140537424
4-Chloro-3-(1,3-thiazol-2-ylcarbamoyl)benzene-1-sulfonyl chloride
CID 129747355
2-chloro-4-fluoro-N-(1,3-thiazol-2-yl)benzamide
CID 2666618
2-chloro-6-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2673064
2-chloro-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide
CID 25498562
2-chloro-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-sulfamoylbenzamide
CID 25611459
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-fluorobenzamide
CID 60654719

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide (CID 87181448) is N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide is NS(=O)(=O)c1ccc(F)c(Cl)c1C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide?
The InChIKey is UNFOGLZUJUHXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFN3O3S2/c11-6-3-15-10(20-6)16-9(17)7-5(21(14,18)19)2-1-4(13)8(7)12/h1-3H,(H2,14,18,19)(H,15,16,17).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide has a molecular weight of 414.67 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-3-fluoro-6-sulfamoylbenzamide is sourced from PubChem (CID 87181448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).