N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline

C24H30N4O5S — CID 5125969

IUPACN-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCCCCCC(C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)=Cc1ccccc1
InChIInChI=1S/C24H30N4O5S/c1-2-3-5-10-21(17-20-8-6-4-7-9-20)19-25-26-23-12-11-22(28(29)30)18-24(23)34(31,32)27-13-15-33-16-14-27/h4,6-9,11-12,17-19,26H,2-3,5,10,13-16H2,1H3
InChIKeyRAELXDHHWAZULJ-UHFFFAOYSA-N
MW486.59 g/mol
LogP4.68
Rot. Bonds11

About N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline

N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline (PubChem CID 5125969) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline.

Molecular Properties

Compound NameN-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
PubChem CID5125969
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCCCCCC(C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)=Cc1ccccc1
InChIInChI=1S/C24H30N4O5S/c1-2-3-5-10-21(17-20-8-6-4-7-9-20)19-25-26-23-12-11-22(28(29)30)18-24(23)34(31,32)27-13-15-33-16-14-27/h4,6-9,11-12,17-19,26H,2-3,5,10,13-16H2,1H3
InChIKeyRAELXDHHWAZULJ-UHFFFAOYSA-N
XLogP4.68
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-benzylideneheptylideneamino)-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5134326
N-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460
2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
CID 3910260
N-[(4-ethylphenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3320010
2-[(E)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135678967
4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 5025810
N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 4073107
N-[(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3310986
2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-thiophen-3-ylmethylideneamino]aniline
CID 42995165
2-morpholin-4-ylsulfonyl-4-nitro-N-[(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 4285928
2-morpholin-4-ylsulfonyl-4-nitro-N-(3-phenylpropyl)aniline
CID 3135567
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078098

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The IUPAC name of N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline (CID 5125969) is N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline.
What is the SMILES notation for N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The canonical SMILES for N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline is CCCCCC(C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)=Cc1ccccc1.
What is the InChIKey of N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The InChIKey is RAELXDHHWAZULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-2-3-5-10-21(17-20-8-6-4-7-9-20)19-25-26-23-12-11-22(28(29)30)18-24(23)34(31,32)27-13-15-33-16-14-27/h4,6-9,11-12,17-19,26H,2-3,5,10,13-16H2,1H3.
What are the key properties of N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline has a molecular weight of 486.59 g/mol, XLogP of 4.68, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline is sourced from PubChem (CID 5125969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).