N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline

C19H20N4O5S — CID 3633570

IUPACN-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=C2CCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N4O5S/c24-23(25)15-6-8-18(19(13-15)29(26,27)22-9-11-28-12-10-22)21-20-17-7-5-14-3-1-2-4-16(14)17/h1-4,6,8,13,21H,5,7,9-12H2
InChIKeyQCAVVKYFTAPDRA-UHFFFAOYSA-N
MW416.46 g/mol
LogP2.38
Rot. Bonds5

About N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline

N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline (PubChem CID 3633570) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline.

Molecular Properties

Compound NameN-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
PubChem CID3633570
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC NameN-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NN=C2CCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C19H20N4O5S/c24-23(25)15-6-8-18(19(13-15)29(26,27)22-9-11-28-12-10-22)21-20-17-7-5-14-3-1-2-4-16(14)17/h1-4,6,8,13,21H,5,7,9-12H2
InChIKeyQCAVVKYFTAPDRA-UHFFFAOYSA-N
XLogP2.38
TPSA114.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 52.38
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-(benzylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5176460
2-morpholin-4-ylsulfonyl-4-nitro-N-[(2-nitrophenyl)methylideneamino]aniline
CID 3910260
N-[[(2R,6R)-2,6-dimethylcyclohexylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078082
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 9078080
N-(1,3-diphenylpropan-2-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 4073107
2-[(E)-[(2-morpholin-4-ylsulfonyl-4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135678967
N-[1-(2-fluorophenyl)ethylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3250770
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline
CID 5379027
2-morpholin-4-ylsulfonyl-4-nitro-N-[(E)-thiophen-3-ylmethylideneamino]aniline
CID 42995165
2-(azepan-1-ylsulfonyl)-N-(cycloheptylideneamino)-4-nitroaniline
CID 4086650
2-morpholin-4-ylsulfonyl-4-nitro-N-(3-phenylpropyl)aniline
CID 3135567
N-[(3,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 3310986

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The IUPAC name of N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline (CID 3633570) is N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline.
What is the SMILES notation for N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The canonical SMILES for N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline is O=[N+]([O-])c1ccc(NN=C2CCc3ccccc32)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
The InChIKey is QCAVVKYFTAPDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c24-23(25)15-6-8-18(19(13-15)29(26,27)22-9-11-28-12-10-22)21-20-17-7-5-14-3-1-2-4-16(14)17/h1-4,6,8,13,21H,5,7,9-12H2.
What are the key properties of N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline?
N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline has a molecular weight of 416.46 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroinden-1-ylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline is sourced from PubChem (CID 3633570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).