N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide

C25H34N6O7S — CID 3662972

IUPACN,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C25H34N6O7S/c1-18(2)16-29(17-19(3)4)39(36,37)25-14-22(31(34)35)5-7-23(25)27-26-15-20-13-21(30(32)33)6-8-24(20)28-9-11-38-12-10-28/h5-8,13-15,18-19,27H,9-12,16-17H2,1-4H3
InChIKeyOIMBUDDGAWNEPD-UHFFFAOYSA-N
MW562.65 g/mol
LogP4.09
Rot. Bonds12

About N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide

N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide (PubChem CID 3662972) has the molecular formula C25H34N6O7S and a molecular weight of 562.65 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
PubChem CID3662972
Molecular FormulaC25H34N6O7S
Molecular Weight562.65 g/mol
Exact Mass562.22
IUPAC NameN,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C25H34N6O7S/c1-18(2)16-29(17-19(3)4)39(36,37)25-14-22(31(34)35)5-7-23(25)27-26-15-20-13-21(30(32)33)6-8-24(20)28-9-11-38-12-10-28/h5-8,13-15,18-19,27H,9-12,16-17H2,1-4H3
InChIKeyOIMBUDDGAWNEPD-UHFFFAOYSA-N
XLogP4.09
TPSA160.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.65
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

1-[2-[[[2-[bis(2-methylpropyl)sulfamoyl]-4-nitrophenyl]hydrazinylidene]methyl]phenyl]-N,N-diethylpiperidine-3-carboxamide
CID 3264210
N,N-diethyl-2-[(2Z)-2-[(5-morpholin-4-ylthiophen-2-yl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 6145031
2-(2,6-dimethylmorpholin-4-yl)-N,N-bis(2-methylpropyl)-5-nitrobenzenesulfonamide
CID 2921743
1-ethyl-3-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]thiourea
CID 126377027
2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
CID 3910260
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
1-(2,6-dichlorophenyl)-N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]methanamine
CID 19060190
2-[(E)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135678967
N,N-diethyl-2-[(2Z)-2-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 9390947
N,N-diethyl-5-nitro-2-[2-[(2,3,4-trihydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4054948
2-(3,4-dichloro-N-methylsulfonylanilino)-N-[(E)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
CID 43880023
2-(3-methyl-N-methylsulfonylanilino)-N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]acetamide
CID 92660635

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide (CID 3662972) is N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide is CC(C)CN(CC(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The InChIKey is OIMBUDDGAWNEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O7S/c1-18(2)16-29(17-19(3)4)39(36,37)25-14-22(31(34)35)5-7-23(25)27-26-15-20-13-21(30(32)33)6-8-24(20)28-9-11-38-12-10-28/h5-8,13-15,18-19,27H,9-12,16-17H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide has a molecular weight of 562.65 g/mol, XLogP of 4.09, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-[2-[(2-morpholin-4-yl-5-nitrophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 3662972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).