4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

C27H24N4O6S — CID 4638398

IUPAC4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C27H24N4O6S/c28-38(34,35)23-12-13-24(25(16-23)31(32)33)30-29-17-22-11-14-26(36-18-20-7-3-1-4-8-20)27(15-22)37-19-21-9-5-2-6-10-21/h1-17,30H,18-19H2,(H2,28,34,35)
InChIKeySHDZMAULALTQPE-UHFFFAOYSA-N
MW532.58 g/mol
LogP4.85
Rot. Bonds11

About 4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide

4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide (PubChem CID 4638398) has the molecular formula C27H24N4O6S and a molecular weight of 532.58 g/mol. Its IUPAC name is 4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
PubChem CID4638398
Molecular FormulaC27H24N4O6S
Molecular Weight532.58 g/mol
Exact Mass532.14
IUPAC Name4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c([N+](=O)[O-])c1
InChIInChI=1S/C27H24N4O6S/c28-38(34,35)23-12-13-24(25(16-23)31(32)33)30-29-17-22-11-14-26(36-18-20-7-3-1-4-8-20)27(15-22)37-19-21-9-5-2-6-10-21/h1-17,30H,18-19H2,(H2,28,34,35)
InChIKeySHDZMAULALTQPE-UHFFFAOYSA-N
XLogP4.85
TPSA146.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.58
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-nitroaniline
CID 6186932
4-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4077408
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
CID 4117636
2-nitro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]aniline
CID 6132295
N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-nitropyridin-2-amine
CID 126114153
N-[(Z)-[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126101451
2-[(Z)-[(2-nitro-4-sulfamoylphenyl)hydrazinylidene]methyl]benzoic acid
CID 6303781
3-nitro-N-[(Z)-(3-nitro-4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 126109598
4-[[2-methoxy-4-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126115288
3-nitro-4-[(2E)-2-(1H-pyrrol-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 135752106
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126112806
3-nitro-4-[2-[(2,4,6-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 3424586

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide (CID 4638398) is 4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(NN=Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
The InChIKey is SHDZMAULALTQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O6S/c28-38(34,35)23-12-13-24(25(16-23)31(32)33)30-29-17-22-11-14-26(36-18-20-7-3-1-4-8-20)27(15-22)37-19-21-9-5-2-6-10-21/h1-17,30H,18-19H2,(H2,28,34,35).
What are the key properties of 4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide?
4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide has a molecular weight of 532.58 g/mol, XLogP of 4.85, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[3,4-bis(phenylmethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 4638398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).