4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline

C24H24N4O5S — CID 3954704

IUPAC4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline
SMILESCC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N4O5S/c1-18(19-7-9-21(10-8-19)20-5-3-2-4-6-20)25-26-23-12-11-22(17-24(23)28(29)30)34(31,32)27-13-15-33-16-14-27/h2-12,17,26H,13-16H2,1H3
InChIKeyAHGMIVLDPKXJMN-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.12
Rot. Bonds7

About 4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline

4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline (PubChem CID 3954704) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline
PubChem CID3954704
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline
SMILESCC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24N4O5S/c1-18(19-7-9-21(10-8-19)20-5-3-2-4-6-20)25-26-23-12-11-22(17-24(23)28(29)30)34(31,32)27-13-15-33-16-14-27/h2-12,17,26H,13-16H2,1H3
InChIKeyAHGMIVLDPKXJMN-UHFFFAOYSA-N
XLogP4.12
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 93057868
N-[(Z)-[(3R)-3-methylpentan-2-ylidene]amino]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 9060765
4-[2-[1-(4-morpholin-4-ylphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3282087
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 6270425
N-(5-methylhexan-2-ylideneamino)-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 3986579
4-[(Z)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 6057612
N-[1-(4-morpholin-4-ylphenyl)ethylideneamino]-2,4-dinitroaniline
CID 5035188
4-morpholin-4-ylsulfonyl-2-nitro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 7420245
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
CID 6116556
ethyl 2,4-dimethyl-5-[C-methyl-N-(4-morpholin-4-ylsulfonyl-2-nitroanilino)carbonimidoyl]-1H-pyrrole-3-carboxylate
CID 5238261
N-benzyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 2867352

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline?
The IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline (CID 3954704) is 4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline is CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline?
The InChIKey is AHGMIVLDPKXJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-18(19-7-9-21(10-8-19)20-5-3-2-4-6-20)25-26-23-12-11-22(17-24(23)28(29)30)34(31,32)27-13-15-33-16-14-27/h2-12,17,26H,13-16H2,1H3.
What are the key properties of 4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline?
4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline has a molecular weight of 480.55 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-2-nitro-N-[1-(4-phenylphenyl)ethylideneamino]aniline is sourced from PubChem (CID 3954704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).