4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide

C15H15ClN4O4S — CID 7959566

IUPAC4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide
SMILESCC/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4O4S/c1-2-13(10-3-5-11(16)6-4-10)18-19-14-8-7-12(25(17,23)24)9-15(14)20(21)22/h3-9,19H,2H2,1H3,(H2,17,23,24)/b18-13-
InChIKeyRDSYHPVDSHPRGU-AQTBWJFISA-N
MW382.83 g/mol
LogP3.12
Rot. Bonds6

About 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide

4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide (PubChem CID 7959566) has the molecular formula C15H15ClN4O4S and a molecular weight of 382.83 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide
PubChem CID7959566
Molecular FormulaC15H15ClN4O4S
Molecular Weight382.83 g/mol
Exact Mass382.05
IUPAC Name4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide
SMILESCC/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN4O4S/c1-2-13(10-3-5-11(16)6-4-10)18-19-14-8-7-12(25(17,23)24)9-15(14)20(21)22/h3-9,19H,2H2,1H3,(H2,17,23,24)/b18-13-
InChIKeyRDSYHPVDSHPRGU-AQTBWJFISA-N
XLogP3.12
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 53.12
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'}

Analyze 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-4-[2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3634544
4-[(2Z)-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6305098
4-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5219545
2,4-dinitro-N-[1-(4-propan-2-ylphenyl)propylideneamino]aniline
CID 4218707
3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
CID 6116556
3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide
CID 4213046
3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 6073544
4-[(2Z)-2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6071909
4-[2-[1-(3,4-dimethoxyphenyl)propylidene]hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 3701494
4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
CID 6269703
4-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135684512
2-nitro-N-[(E)-1-phenylpropylideneamino]aniline
CID 6132206

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide (CID 7959566) is 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide is CC/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)cc1.
What is the InChIKey of 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The InChIKey is RDSYHPVDSHPRGU-AQTBWJFISA-N. The full InChI is InChI=1S/C15H15ClN4O4S/c1-2-13(10-3-5-11(16)6-4-10)18-19-14-8-7-12(25(17,23)24)9-15(14)20(21)22/h3-9,19H,2H2,1H3,(H2,17,23,24)/b18-13-.
What are the key properties of 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide has a molecular weight of 382.83 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 7959566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).