N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide

C11H8BrClN2O3S2 — CID 8617069

IUPACN'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1
InChIInChI=1S/C11H8BrClN2O3S2/c12-7-3-4-10(8(13)6-7)20(17,18)15-14-11(16)9-2-1-5-19-9/h1-6,15H,(H,14,16)
InChIKeyMOHZJWAWDJFKSS-UHFFFAOYSA-N
MW395.69 g/mol
LogP2.79
Rot. Bonds4

About N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide

N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide (PubChem CID 8617069) has the molecular formula C11H8BrClN2O3S2 and a molecular weight of 395.69 g/mol. Its IUPAC name is N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide
PubChem CID8617069
Molecular FormulaC11H8BrClN2O3S2
Molecular Weight395.69 g/mol
Exact Mass393.88
IUPAC NameN'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1
InChIInChI=1S/C11H8BrClN2O3S2/c12-7-3-4-10(8(13)6-7)20(17,18)15-14-11(16)9-2-1-5-19-9/h1-6,15H,(H,14,16)
InChIKeyMOHZJWAWDJFKSS-UHFFFAOYSA-N
XLogP2.79
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.69
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-dimethylphenyl)sulfonylthiophene-2-carbohydrazide
CID 8617039
4-bromo-2-chloro-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80524040
N'-[4-(trifluoromethyl)phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617155
N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
CID 32673196
N-[4-[(4-bromo-2-chlorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 60528117
4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
CID 7939182
N-(4-bromo-2-carbamoylphenyl)thiophene-2-carboxamide
CID 141087470
N'-[4-[(2S)-butan-2-yl]phenyl]sulfonylthiophene-2-carbohydrazide
CID 8617065
4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
methyl 4-[(4-bromo-2-chlorophenyl)sulfonylamino]benzoate
CID 7938713
1-(4-bromophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 18708934
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide?
The IUPAC name of N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide (CID 8617069) is N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide?
The canonical SMILES for N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1.
What is the InChIKey of N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide?
The InChIKey is MOHZJWAWDJFKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O3S2/c12-7-3-4-10(8(13)6-7)20(17,18)15-14-11(16)9-2-1-5-19-9/h1-6,15H,(H,14,16).
What are the key properties of N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide?
N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide has a molecular weight of 395.69 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-chlorophenyl)sulfonylthiophene-2-carbohydrazide is sourced from PubChem (CID 8617069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).