4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide

C19H17N3O4S — CID 3983594

IUPAC4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NN(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O4S/c1-15-12-13-18(14-19(15)22(23)24)27(25,26)20-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3
InChIKeyBIJYOKRYXURUKH-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.93
Rot. Bonds6

About 4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide

4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide (PubChem CID 3983594) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide.

Molecular Properties

Compound Name4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide
PubChem CID3983594
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NN(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O4S/c1-15-12-13-18(14-19(15)22(23)24)27(25,26)20-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3
InChIKeyBIJYOKRYXURUKH-UHFFFAOYSA-N
XLogP3.93
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-3-nitro-N-phenylbenzenesulfonamide
CID 3323652
4-methyl-3-nitro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 7322854
4-methyl-N',N'-diphenylbenzenesulfonohydrazide
CID 711063
4-methyl-3-nitro-N-propan-2-ylbenzenesulfonamide
CID 2836744
N-(2-iodophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 563423
N-[(2R)-1-aminopropan-2-yl]-4-methyl-3-nitrobenzenesulfonamide
CID 104873342
4-methyl-3-nitro-N-prop-2-ynylbenzenesulfonamide
CID 9356117
N-butyl-4-methyl-3-nitrobenzenesulfonamide
CID 2836737
N-[(Z)-(4-anilinophenyl)methylideneamino]-4-methyl-3-nitrobenzenesulfonamide
CID 7601966
N-(2-methoxyethyl)-4-methyl-3-nitrobenzenesulfonamide
CID 5189780
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methyl-3-nitrobenzenesulfonamide
CID 107848426
N-(2-chloro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 87933653

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide?
The IUPAC name of 4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide (CID 3983594) is 4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide.
What is the SMILES notation for 4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide?
The canonical SMILES for 4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NN(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide?
The InChIKey is BIJYOKRYXURUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-15-12-13-18(14-19(15)22(23)24)27(25,26)20-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3.
What are the key properties of 4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide?
4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide has a molecular weight of 383.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-nitro-N',N'-diphenylbenzenesulfonohydrazide is sourced from PubChem (CID 3983594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).