4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide

C15H14N4O4S — CID 3561727

IUPAC4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=C2CCc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N4O4S/c16-24(22,23)11-6-8-14(15(9-11)19(20)21)18-17-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,18H,5,7H2,(H2,16,22,23)
InChIKeyVOODBCZQCBJZGN-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.00
Rot. Bonds4

About 4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide

4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide (PubChem CID 3561727) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
PubChem CID3561727
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=C2CCc3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C15H14N4O4S/c16-24(22,23)11-6-8-14(15(9-11)19(20)21)18-17-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,18H,5,7H2,(H2,16,22,23)
InChIKeyVOODBCZQCBJZGN-UHFFFAOYSA-N
XLogP2.00
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 6301213
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline
CID 5379027
4-[2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 3885583
3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
CID 6116556
N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3633570
4-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135684512
4-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-ylamino)-3-nitrobenzenesulfonamide
CID 133387471
3-nitro-4-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 135752106
2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid
CID 6303781
N-[(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-nitroaniline
CID 9059234
N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide
CID 5215796
4-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6043053

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide (CID 3561727) is 4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(NN=C2CCc3ccccc32)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
The InChIKey is VOODBCZQCBJZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c16-24(22,23)11-6-8-14(15(9-11)19(20)21)18-17-13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,18H,5,7H2,(H2,16,22,23).
What are the key properties of 4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide has a molecular weight of 346.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 3561727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).