4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline

C16H18N4O5S — CID 9279987

IUPAC4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccccn1
InChIInChI=1S/C16H18N4O5S/c21-20(22)16-11-14(26(23,24)19-7-9-25-10-8-19)4-5-15(16)18-12-13-3-1-2-6-17-13/h1-6,11,18H,7-10,12H2
InChIKeyXAZNFHRXLDFLCF-UHFFFAOYSA-N
MW378.41 g/mol
LogP1.62
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline

4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline (PubChem CID 9279987) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline
PubChem CID9279987
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC Name4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccccn1
InChIInChI=1S/C16H18N4O5S/c21-20(22)16-11-14(26(23,24)19-7-9-25-10-8-19)4-5-15(16)18-12-13-3-1-2-6-17-13/h1-6,11,18H,7-10,12H2
InChIKeyXAZNFHRXLDFLCF-UHFFFAOYSA-N
XLogP1.62
TPSA114.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 2867352
2,4-dinitro-N-(pyridin-2-ylmethyl)aniline
CID 3442927
4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-phenylcyclopropyl)methyl]aniline
CID 46683945
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
4-morpholin-4-ylsulfonyl-2-nitro-N-pentylaniline
CID 40714555
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 51726770
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 133311481
1-(furan-2-yl)-N,N-dimethyl-N'-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)ethane-1,2-diamine
CID 4845767
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
4-morpholin-4-ylsulfonyl-2-nitro-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 9187073
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
2-fluoro-5-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 5143733

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline (CID 9279987) is 4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCc1ccccn1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is XAZNFHRXLDFLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c21-20(22)16-11-14(26(23,24)19-7-9-25-10-8-19)4-5-15(16)18-12-13-3-1-2-6-17-13/h1-6,11,18H,7-10,12H2.
What are the key properties of 4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline?
4-morpholin-4-ylsulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 378.41 g/mol, XLogP of 1.62, 6 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-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 9279987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).