4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide

C11H9BrN2O3S2 — CID 110678469

IUPAC4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cs2)cc1
InChIInChI=1S/C11H9BrN2O3S2/c12-8-5-10(18-6-8)19(16,17)14-9-3-1-7(2-4-9)11(13)15/h1-6,14H,(H2,13,15)
InChIKeyONTANETYWBQMRE-UHFFFAOYSA-N
MW361.24 g/mol
LogP2.41
Rot. Bonds4

About 4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide

4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide (PubChem CID 110678469) has the molecular formula C11H9BrN2O3S2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide
PubChem CID110678469
Molecular FormulaC11H9BrN2O3S2
Molecular Weight361.24 g/mol
Exact Mass359.92
IUPAC Name4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cs2)cc1
InChIInChI=1S/C11H9BrN2O3S2/c12-8-5-10(18-6-8)19(16,17)14-9-3-1-7(2-4-9)11(13)15/h1-6,14H,(H2,13,15)
InChIKeyONTANETYWBQMRE-UHFFFAOYSA-N
XLogP2.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
4-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxamide
CID 6503878
4-bromothiophene-2-sulfonohydrazide
CID 82299785
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
4-[(4-acetylphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6503881
5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104937765
4-amino-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 61301108
4-[(2,6-difluorophenyl)sulfonylamino]benzamide
CID 4880807

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide?
The IUPAC name of 4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide (CID 110678469) is 4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide.
What is the SMILES notation for 4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide?
The canonical SMILES for 4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide is NC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cs2)cc1.
What is the InChIKey of 4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide?
The InChIKey is ONTANETYWBQMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3S2/c12-8-5-10(18-6-8)19(16,17)14-9-3-1-7(2-4-9)11(13)15/h1-6,14H,(H2,13,15).
What are the key properties of 4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide?
4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide has a molecular weight of 361.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide is sourced from PubChem (CID 110678469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).