5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide

C7H12N4O3S — CID 16780083

IUPAC5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1c[nH]c(C(=O)NN)c1
InChIInChI=1S/C7H12N4O3S/c1-11(2)15(13,14)5-3-6(9-4-5)7(12)10-8/h3-4,9H,8H2,1-2H3,(H,10,12)
InChIKeyOKLQNSQTDRTBDK-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.13
Rot. Bonds3

About 5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide

5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide (PubChem CID 16780083) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide
PubChem CID16780083
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC Name5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1c[nH]c(C(=O)NN)c1
InChIInChI=1S/C7H12N4O3S/c1-11(2)15(13,14)5-3-6(9-4-5)7(12)10-8/h3-4,9H,8H2,1-2H3,(H,10,12)
InChIKeyOKLQNSQTDRTBDK-UHFFFAOYSA-N
XLogP-1.13
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(hydrazinecarbonyl)-N,N-dipropyl-1H-pyrrole-3-sulfonamide
CID 16780236
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780472
3-[2-[[4-(dimethylsulfamoyl)-1H-pyrrole-2-carbonyl]amino]ethyldisulfanyl]propanoic acid
CID 167983701
4-(4-methylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 16780082
4-[2-methoxyethyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61042051
N-(4-fluorophenyl)-5-(hydrazinecarbonyl)-1H-pyrrole-3-sulfonamide
CID 16780201
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide
CID 16780167
4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 31421387
4-(diethylsulfamoyl)-N-(4-hydroxybutan-2-yl)-1H-pyrrole-2-carboxamide
CID 115283401
N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 102915536
N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65388360

Frequently Asked Questions

What is the IUPAC name of 5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide (CID 16780083) is 5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide is CN(C)S(=O)(=O)c1c[nH]c(C(=O)NN)c1.
What is the InChIKey of 5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide?
The InChIKey is OKLQNSQTDRTBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c1-11(2)15(13,14)5-3-6(9-4-5)7(12)10-8/h3-4,9H,8H2,1-2H3,(H,10,12).
What are the key properties of 5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide?
5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide has a molecular weight of 232.26 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 16780083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).