5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide

C11H12N4O4S2 — CID 80735593

IUPAC5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)c1
InChIInChI=1S/C11H12N4O4S2/c1-7-3-2-4-8(5-7)14-21(18,19)10-6-9(15(16)17)11(13-12)20-10/h2-6,13-14H,12H2,1H3
InChIKeyNOARSQHGNSQDLI-UHFFFAOYSA-N
MW328.38 g/mol
LogP2.05
Rot. Bonds5

About 5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide

5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide (PubChem CID 80735593) has the molecular formula C11H12N4O4S2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide
PubChem CID80735593
Molecular FormulaC11H12N4O4S2
Molecular Weight328.38 g/mol
Exact Mass328.03
IUPAC Name5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)c1
InChIInChI=1S/C11H12N4O4S2/c1-7-3-2-4-8(5-7)14-21(18,19)10-6-9(15(16)17)11(13-12)20-10/h2-6,13-14H,12H2,1H3
InChIKeyNOARSQHGNSQDLI-UHFFFAOYSA-N
XLogP2.05
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-hydrazinyl-N-(2-methyl-4-pyridinyl)-4-nitrothiophene-2-sulfonamide
CID 80745589
5-(ethylamino)-4-nitro-N-phenylthiophene-2-sulfonamide
CID 80744740
5-hydrazinyl-N-(3-methylbutan-2-yl)-4-nitrothiophene-2-sulfonamide
CID 80741993
N-(5-bromopyrazin-2-yl)-5-hydrazinyl-4-nitrothiophene-2-sulfonamide
CID 80745979
5-(methylamino)-4-nitro-N-pyridin-3-ylthiophene-2-sulfonamide
CID 80747191
5-amino-N-(3-fluoro-5-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80727272
5-hydrazinyl-4-nitro-N-(oxan-4-yl)thiophene-2-sulfonamide
CID 80742192
2-[(5-hydrazinyl-4-nitrothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 80735155
5-[(3-methylphenyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270162
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
3-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17415879
5-amino-N-(4-bromo-3-chlorophenyl)-4-nitrothiophene-2-sulfonamide
CID 107616503

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide (CID 80735593) is 5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide is Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(NN)s2)c1.
What is the InChIKey of 5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide?
The InChIKey is NOARSQHGNSQDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S2/c1-7-3-2-4-8(5-7)14-21(18,19)10-6-9(15(16)17)11(13-12)20-10/h2-6,13-14H,12H2,1H3.
What are the key properties of 5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide?
5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide has a molecular weight of 328.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(3-methylphenyl)-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 80735593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).