4-bromothiophene-2-sulfonohydrazide

C4H5BrN2O2S2 — CID 82299785

IUPAC4-bromothiophene-2-sulfonohydrazide
SMILESNNS(=O)(=O)c1cc(Br)cs1
InChIInChI=1S/C4H5BrN2O2S2/c5-3-1-4(10-2-3)11(8,9)7-6/h1-2,7H,6H2
InChIKeyWXFYVDOTSUTWAV-UHFFFAOYSA-N
MW257.13 g/mol
LogP0.66
Rot. Bonds2

About 4-bromothiophene-2-sulfonohydrazide

4-bromothiophene-2-sulfonohydrazide (PubChem CID 82299785) has the molecular formula C4H5BrN2O2S2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromothiophene-2-sulfonohydrazide.

Molecular Properties

Compound Name4-bromothiophene-2-sulfonohydrazide
PubChem CID82299785
Molecular FormulaC4H5BrN2O2S2
Molecular Weight257.13 g/mol
Exact Mass255.90
IUPAC Name4-bromothiophene-2-sulfonohydrazide
SMILESNNS(=O)(=O)c1cc(Br)cs1
InChIInChI=1S/C4H5BrN2O2S2/c5-3-1-4(10-2-3)11(8,9)7-6/h1-2,7H,6H2
InChIKeyWXFYVDOTSUTWAV-UHFFFAOYSA-N
XLogP0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromothiophene-2-sulfonyl fluoride
CID 82294546
4-bromo-N-(3-hydroxycyclobutyl)thiophene-2-sulfonamide
CID 130559335
4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide
CID 110678469
5-bromothiophene-2-sulfonohydrazide
CID 23464136
1-(4-bromothiophen-2-yl)sulfonyl-3-[6-[(4-bromothiophen-2-yl)sulfonylcarbamoylamino]hexyl]urea
CID 24968650
4-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110678457
N-(4-bromothiophen-2-yl)sulfonylspiro[2.3]hexane-5-carboxamide
CID 146135715
4-(hydrazinesulfonyl)thiophene-2-carboxylic acid
CID 12704290
5-[(3-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 104937765
1-(4-bromothiophen-2-yl)sulfonyl-2,2-dimethylpyrrolidin-3-one
CID 115275099
4-(aminomethyl)-N-(2,6-dibromophenyl)thiophene-2-sulfonamide
CID 106088925
1-(4-bromothiophen-2-yl)sulfonylcyclobutane-1-carboxylic acid
CID 116855385

Frequently Asked Questions

What is the IUPAC name of 4-bromothiophene-2-sulfonohydrazide?
The IUPAC name of 4-bromothiophene-2-sulfonohydrazide (CID 82299785) is 4-bromothiophene-2-sulfonohydrazide.
What is the SMILES notation for 4-bromothiophene-2-sulfonohydrazide?
The canonical SMILES for 4-bromothiophene-2-sulfonohydrazide is NNS(=O)(=O)c1cc(Br)cs1.
What is the InChIKey of 4-bromothiophene-2-sulfonohydrazide?
The InChIKey is WXFYVDOTSUTWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O2S2/c5-3-1-4(10-2-3)11(8,9)7-6/h1-2,7H,6H2.
What are the key properties of 4-bromothiophene-2-sulfonohydrazide?
4-bromothiophene-2-sulfonohydrazide has a molecular weight of 257.13 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothiophene-2-sulfonohydrazide is sourced from PubChem (CID 82299785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).