N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide

C19H15BrN2O4S2 — CID 55788997

IUPACN'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15BrN2O4S2/c20-17-11-10-16(27-17)19(24)22-21-18(23)14-8-6-13(7-9-14)12-28(25,26)15-4-2-1-3-5-15/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyUVGNCGUZLOGJQU-UHFFFAOYSA-N
MW479.38 g/mol
LogP3.56
Rot. Bonds5

About N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide

N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide (PubChem CID 55788997) has the molecular formula C19H15BrN2O4S2 and a molecular weight of 479.38 g/mol. Its IUPAC name is N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide
PubChem CID55788997
Molecular FormulaC19H15BrN2O4S2
Molecular Weight479.38 g/mol
Exact Mass477.97
IUPAC NameN'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(Br)s1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15BrN2O4S2/c20-17-11-10-16(27-17)19(24)22-21-18(23)14-8-6-13(7-9-14)12-28(25,26)15-4-2-1-3-5-15/h1-11H,12H2,(H,21,23)(H,22,24)
InChIKeyUVGNCGUZLOGJQU-UHFFFAOYSA-N
XLogP3.56
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
5-bromo-N'-[4-(ethylsulfanylmethyl)benzoyl]thiophene-2-carbohydrazide
CID 55882212
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
CID 55934258
5-bromo-N'-(4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 26662523
4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55759309
4-ethyl-N'-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]benzohydrazide
CID 78888892
5-bromo-N'-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]thiophene-2-carbohydrazide
CID 30756356
N-[4-[2-(5-bromothiophene-2-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 134049279
5-bromo-N'-(3,4-difluorobenzoyl)thiophene-2-carbohydrazide
CID 30497119
5-bromo-N'-[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]thiophene-2-carbohydrazide
CID 4691526
4-(benzenesulfonylmethyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 55762787
N'-(5-bromothiophene-2-carbonyl)-6-methylpyridine-3-carbohydrazide
CID 32770697

Frequently Asked Questions

What is the IUPAC name of N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide?
The IUPAC name of N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide (CID 55788997) is N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide is O=C(NNC(=O)c1ccc(Br)s1)c1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide?
The InChIKey is UVGNCGUZLOGJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O4S2/c20-17-11-10-16(27-17)19(24)22-21-18(23)14-8-6-13(7-9-14)12-28(25,26)15-4-2-1-3-5-15/h1-11H,12H2,(H,21,23)(H,22,24).
What are the key properties of N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide?
N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide has a molecular weight of 479.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide is sourced from PubChem (CID 55788997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).