4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide

C13H20N4O4S — CID 6269703

IUPAC4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
SMILESC/C(CCC(C)C)=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O4S/c1-9(2)4-5-10(3)15-16-12-7-6-11(22(14,20)21)8-13(12)17(18)19/h6-9,16H,4-5H2,1-3H3,(H2,14,20,21)/b15-10-
InChIKeyHIGCHVZJHGVARA-GDNBJRDFSA-N
MW328.39 g/mol
LogP2.47
Rot. Bonds7

About 4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide

4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide (PubChem CID 6269703) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
PubChem CID6269703
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC Name4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide
SMILESC/C(CCC(C)C)=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O4S/c1-9(2)4-5-10(3)15-16-12-7-6-11(22(14,20)21)8-13(12)17(18)19/h6-9,16H,4-5H2,1-3H3,(H2,14,20,21)/b15-10-
InChIKeyHIGCHVZJHGVARA-GDNBJRDFSA-N
XLogP2.47
TPSA127.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.47
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

3-nitro-4-(2-nonan-2-ylidenehydrazinyl)benzenesulfonamide
CID 4213046
N-[(Z)-5-methylhexan-2-ylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 6251475
N-(5-methylhexan-2-ylideneamino)-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 3986579
4-(3-methylbutylamino)-3-nitrobenzenesulfonamide
CID 26471070
3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
CID 6116556
4-[(2Z)-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6305098
4-[2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 5219545
4-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135684512
3-nitro-4-[(2Z)-2-[1-(2,3,4-trichlorophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 6073544
4-[(2Z)-2-[1-(4-chlorophenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 7959566
4-[(2Z)-2-[1-[4-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6071909
N-[(E)-[(6Z)-6-[(2,4-dinitrophenyl)hydrazinylidene]heptan-2-ylidene]amino]-2,4-dinitroaniline
CID 21233704

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide (CID 6269703) is 4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide is C/C(CCC(C)C)=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-].
What is the InChIKey of 4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
The InChIKey is HIGCHVZJHGVARA-GDNBJRDFSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-9(2)4-5-10(3)15-16-12-7-6-11(22(14,20)21)8-13(12)17(18)19/h6-9,16H,4-5H2,1-3H3,(H2,14,20,21)/b15-10-.
What are the key properties of 4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-(5-methylhexan-2-ylidene)hydrazinyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 6269703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).