2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide

C12H15BrN2O4S2 — CID 115886717

IUPAC2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCS(=O)CC2)c1
InChIInChI=1S/C12H15BrN2O4S2/c13-11-2-1-9(21(14,18)19)7-10(11)12(16)15-8-3-5-20(17)6-4-8/h1-2,7-8H,3-6H2,(H,15,16)(H2,14,18,19)
InChIKeyMIWMIFHDOAQIKG-UHFFFAOYSA-N
MW395.30 g/mol
LogP0.74
Rot. Bonds3

About 2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide

2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide (PubChem CID 115886717) has the molecular formula C12H15BrN2O4S2 and a molecular weight of 395.30 g/mol. Its IUPAC name is 2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
PubChem CID115886717
Molecular FormulaC12H15BrN2O4S2
Molecular Weight395.30 g/mol
Exact Mass393.97
IUPAC Name2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
SMILESNS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCS(=O)CC2)c1
InChIInChI=1S/C12H15BrN2O4S2/c13-11-2-1-9(21(14,18)19)7-10(11)12(16)15-8-3-5-20(17)6-4-8/h1-2,7-8H,3-6H2,(H,15,16)(H2,14,18,19)
InChIKeyMIWMIFHDOAQIKG-UHFFFAOYSA-N
XLogP0.74
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide
CID 104599733
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
2,4-dibromo-N-(1-oxothian-4-yl)benzamide
CID 104580877
2-bromo-N-(1-cyclobutylethyl)-5-sulfamoylbenzamide
CID 115769124
5-[(2-amino-2-oxoethyl)sulfamoyl]-2-bromo-N-cyclopentylbenzamide
CID 9209150
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
2-bromo-N-cyclopropyl-5-(2-methylpropylsulfamoyl)benzamide
CID 9165558
4-methyl-3-[(1-oxothian-4-yl)amino]benzenesulfonamide
CID 54981628
4-bromo-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347766
1-ethyl-N-(1-oxothian-4-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612520
N-cyclopropyl-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 81479218
2-hydroxy-4-methyl-N-(1-oxothian-4-yl)benzamide
CID 115944312

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide (CID 115886717) is 2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide is NS(=O)(=O)c1ccc(Br)c(C(=O)NC2CCS(=O)CC2)c1.
What is the InChIKey of 2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide?
The InChIKey is MIWMIFHDOAQIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S2/c13-11-2-1-9(21(14,18)19)7-10(11)12(16)15-8-3-5-20(17)6-4-8/h1-2,7-8H,3-6H2,(H,15,16)(H2,14,18,19).
What are the key properties of 2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide?
2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide has a molecular weight of 395.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-oxothian-4-yl)-5-sulfamoylbenzamide is sourced from PubChem (CID 115886717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).