N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide

C16H11Br2N3O4S2 — CID 167946545

IUPACN-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
SMILESO=C(Nc1c[nH]cc(Br)c1=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H11Br2N3O4S2/c17-11-7-19-8-12(15(11)22)20-16(23)9-1-3-10(4-2-9)21-27(24,25)14-6-5-13(18)26-14/h1-8,21H,(H,19,22)(H,20,23)
InChIKeyRLRBNNBDTKGRGL-UHFFFAOYSA-N
MW533.22 g/mol
LogP4.01
Rot. Bonds5

About N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide

N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide (PubChem CID 167946545) has the molecular formula C16H11Br2N3O4S2 and a molecular weight of 533.22 g/mol. Its IUPAC name is N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
PubChem CID167946545
Molecular FormulaC16H11Br2N3O4S2
Molecular Weight533.22 g/mol
Exact Mass530.86
IUPAC NameN-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
SMILESO=C(Nc1c[nH]cc(Br)c1=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C16H11Br2N3O4S2/c17-11-7-19-8-12(15(11)22)20-16(23)9-1-3-10(4-2-9)21-27(24,25)14-6-5-13(18)26-14/h1-8,21H,(H,19,22)(H,20,23)
InChIKeyRLRBNNBDTKGRGL-UHFFFAOYSA-N
XLogP4.01
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.22
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide
CID 24542625
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 41172425
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 31580807
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylbenzamide
CID 26268701
5-bromo-N-(1H-indol-5-yl)thiophene-2-sulfonamide
CID 60580032
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
CID 112981010

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
The IUPAC name of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide (CID 167946545) is N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide.
What is the SMILES notation for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
The canonical SMILES for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide is O=C(Nc1c[nH]cc(Br)c1=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
The InChIKey is RLRBNNBDTKGRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2N3O4S2/c17-11-7-19-8-12(15(11)22)20-16(23)9-1-3-10(4-2-9)21-27(24,25)14-6-5-13(18)26-14/h1-8,21H,(H,19,22)(H,20,23).
What are the key properties of N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide?
N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide has a molecular weight of 533.22 g/mol, XLogP of 4.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-oxo-1H-pyridin-3-yl)-4-[(5-bromothiophen-2-yl)sulfonylamino]benzamide is sourced from PubChem (CID 167946545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).