N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline

C11H15N3O5S — CID 62149643

IUPACN-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H15N3O5S/c1-12-9-2-3-10(14(15)16)11(8-9)20(17,18)13-4-6-19-7-5-13/h2-3,8,12H,4-7H2,1H3
InChIKeyRPVFSIMCDRDOQX-UHFFFAOYSA-N
MW301.32 g/mol
LogP0.66
Rot. Bonds4

About N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline

N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline (PubChem CID 62149643) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline.

Molecular Properties

Compound NameN-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline
PubChem CID62149643
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC NameN-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline
SMILESCNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H15N3O5S/c1-12-9-2-3-10(14(15)16)11(8-9)20(17,18)13-4-6-19-7-5-13/h2-3,8,12H,4-7H2,1H3
InChIKeyRPVFSIMCDRDOQX-UHFFFAOYSA-N
XLogP0.66
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-4-nitroaniline
CID 62148626
N-methyl-3-(3-methylmorpholin-4-yl)sulfonyl-4-nitroaniline
CID 62146794
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-N-methyl-4-nitroaniline
CID 79179408
(4-morpholin-4-ylsulfonyl-3-nitrophenyl)hydrazine
CID 43325275
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
N-methyl-3-(2-methylpyrrolidin-1-yl)sulfonyl-4-nitroaniline
CID 62164194
3-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-N-methyl-4-nitroaniline
CID 62158787
3-(2-ethylpyrrolidin-1-yl)sulfonyl-N-methyl-4-nitroaniline
CID 62164357
4-(3-chloro-4-nitrophenyl)sulfonylmorpholine
CID 2380547
5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide
CID 83018411
4-morpholin-4-ylsulfonyl-2-nitrophenolate
CID 7062823
4-(methylamino)-2-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 62146487

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline?
The IUPAC name of N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline (CID 62149643) is N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline.
What is the SMILES notation for N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline?
The canonical SMILES for N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline is CNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline?
The InChIKey is RPVFSIMCDRDOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-12-9-2-3-10(14(15)16)11(8-9)20(17,18)13-4-6-19-7-5-13/h2-3,8,12H,4-7H2,1H3.
What are the key properties of N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline?
N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline has a molecular weight of 301.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline is sourced from PubChem (CID 62149643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).